ALBERT

Description:    It has been shown that the description of the details of the electronic spectra obtained by the combination of the dynamical mean field theory, quantum Monte Carlo methods, and the maximum entropy method can be significantly improved by changing the last method to optimal regularization of the analytic continuation of the Green’s function to the real frequency axis. Starting with the quantum Monte Carlo data, this method has reconstructed peaks in the structure of Hubbard subbands with a maximum error of 0.001 to 0.01. Owing to the universality of the quantum Monte Carlo method, by varying hybridization, it is possible to determine the features of the hybridized function that are responsible for the formation of the structure of Hubbard subbands. It has been shown that there is no direct relation between the peak structure of subbands and the central Kondo peak. The result indicates the charge nature of resonances responsible for the formation of the peak structure. Content Type Journal Article Category Methods of Theoretical Physics Pages 768-773 DOI 10.1134/S0021364011220073 Authors I. S. Krivenko, Faculty of Physics, Moscow State University, Moscow, 119992 Russia A. N. Rubtsov, Faculty of Physics, Moscow State University, Moscow, 119992 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 94 Journal Issue Volume 94, Number 10

Description:    The spallation of a nanometer-thick melt layer on a GaAs surface during its ablation by femtosecond laser pulses occurs with subnanosecond delays and lift-off velocities that depend on the laser fluence after its complete thermal (hydrodynamic) expansion/acoustic relaxation. The position of the spall interface in the melt is determined by the depth of the formation of a two-dimensional subsurface layer of nanobubbles (nanofoam), whereas the strongly heated surface layer of the melt above the nanofoam is partially removed in the form of a vapor-drop mixture. At the thermal expansion stage, acoustic reverberations are observed in the melt layer and characterize both the dynamics of an increase in its thickness and the shift of the cavitation region (nanofoam) inside the melt. Moreover, these reverberations can additionally stimulate spallation, promoting cavitation in the completely unloaded melt in the case of passage of a weak rarefaction wave. Content Type Journal Article Category Condensed Matter Pages 753-758 DOI 10.1134/S002136401122005X Authors A. A. Ionin, Lebedev Physical Institute, Russian Academy of Sciences, Leninskii pr. 53, Moscow, 119991 Russia S. I. Kudryashov, Lebedev Physical Institute, Russian Academy of Sciences, Leninskii pr. 53, Moscow, 119991 Russia L. V. Seleznev, Lebedev Physical Institute, Russian Academy of Sciences, Leninskii pr. 53, Moscow, 119991 Russia D. V. Sinitsyn, Lebedev Physical Institute, Russian Academy of Sciences, Leninskii pr. 53, Moscow, 119991 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 94 Journal Issue Volume 94, Number 10

Description:    The sublimation of glycyl-L-α-alanine (Gly-Ala), L-α-alanyl-L-α-alanine (Ala-Ala), and DL-α-alanyl-DL-α-valine (Ala-Val) aliphatic dipeptides is studied by electron ionization mass spectrometry in combination with Knudsen effusion. The temperature range in which substances sublime as monomer molecular forms is determined. Enthalpies of sublimation Δ s H °( T ) are determined for Gly-Ala, Ala-Ala, and Ala-Val. It is shown that the enthalpy of sublimation of dipeptides increases with an increase in the side hydrocarbon radical. The unknown Δ s H °(298) values for 17 amino acids and nine dipeptides are estimated using the proposed “structure-property” correlation model, in which the geometry and electron characteristics of molecules are used as structural descriptors. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 457-462 DOI 10.1134/S0036024412030065 Authors V. G. Badelin, Institute of Chemistry of Solutions, Russian Academy of Sciences, Ivanovo, 153045 Russia E. Yu. Tyunina, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia A. V. Krasnov, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia V. V. Tyunina, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia N. I. Giricheva, Ivanovo State University, Ivanovo, 153025 Russia A. V. Girichev, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 3

Description:    The acid-base properties of metal acetylacetonates and chromatographic sorbents on the basis of Chromaton N with deposited combined stationary phases from polyethylene glycol (PEG 20M) and nickel(II) and iron(III) acetylacetonates have been investigated by means of pH measurement and Hammett indicator adsorption. The change of the acid-base state of the surface of Chromaton N depending on the nature of a metal of the modifying additive, the complex structure, and the deposition method has been demonstrated. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 463-467 DOI 10.1134/S0036024412030272 Authors Yu. G. Slizhov, Tomsk State University, Tomsk, 634050 Russia T. N. Matveev, Tomsk State University, Tomsk, 634050 Russia T. S. Minakova, Tomsk State University, Tomsk, 634050 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 3

Description:    The properties of the porous polymer Dowex L-285, modified by 5-hydroxy-6-methyluracil, are investigated by means of gas chromatography. It is found that the modification leads to a considerable increase in the sorption activity of the porous polymer with respect to both polar and nonpolar molecules. It is shown that each type of cavities in the supramolecular structure of 5-hydroxy-6-methyluracil contributes to the adsorption and thermodynamic properties of the modified adsorbent. Content Type Journal Article Category Physical Chemistry of Separation Processes: Chromatography Pages 475-478 DOI 10.1134/S0036024412030132 Authors V. Yu. Gus’kov, Bashkir State University, Ufa, 450074 Russia S. P. Ivanov, Institute of Organic Chemistry, Ufa Scientific Center, Russian Academy of Sciences, Ufa, 450054 Russia R. A. Khabibullina, Bashkir State University, Ufa, 450074 Russia R. R. Garafutdinov, Institute of Biochemistry and Genetics, Ufa Scientific Center, Russian Academy of Sciences, Ufa, 450054 Russia F. Kh. Kudasheva, Bashkir State University, Ufa, 450074 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 3

Description:    A planar homogeneous waveguide array with two-level systems has been considered. The evolution of an electromagnetic field is described by the Maxwell-Bloch equations taking into account the action of the fields of neighboring waveguides beyond the slow-envelope approximation. It has been shown that the model in the continuous approximation is reduced to an integrable system of equations, including the case of a nonzero static dipole moment. The model can be used to analyze the nonlinear mechanism of the compression of pulses and the conditions of overcoming of the diffraction limit. Content Type Journal Article Category Optics and Laser Physics Pages 837-839 DOI 10.1134/S0021364011240106 Authors A. A. Zabolotskii, Institute of Automatics and Electrometry, Siberian Branch, Russian Academy of Sciences, Universitetskii pr. 1, Novosibirsk, 630090 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 94 Journal Issue Volume 94, Number 12

Description:    In this research a new idea for prediction of ultimate sizes of bimetallic nanocomposites synthesized in water-in-oil microemulsion system is proposed. In this method, by modifying Tabor Winterton approximation equation, an effective Hamaker constant was introduced. This effective Hamaker constant was applied in the van der Waals attractive interaction energy. The obtained effective van der Waals interaction energy was used as attractive contribution in the total interaction energy. The modified interaction energy was applied successfully to predict some bimetallic nanoparticles, at different mass fraction, synthesized in microemulsion system of dioctyl sodium sulfosuccinate (AOT)/isooctane. Content Type Journal Article Category Physical Chemistry of Nanoclusters and Nanomaterials Pages 2014-2017 DOI 10.1134/S003602441213002X Authors Alireza Salabat, Department of Chemistry, Faculty of Science, Arak University, P. O. Box 38156-8-8349, Arak, Iran Hassan Saydi, Department of Chemistry, Faculty of Science, Arak University, P. O. Box 38156-8-8349, Arak, Iran Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    Densities, viscosities, refractive indices and ultrasonic velocities of the binary mixtures of acetophenone with ethyl acetate were measured over the entire mole fractions at 303.15, 313.15, and 323.15 K. From the experimental results, excess molar volumes V E , viscosity deviation Δ η , refractive index deviation Δ n D , deviations in isentropic compressibility Δκ s and excess intermolecular free length Δ L f are calculated. The viscosity values were fitted to the models of Krishnan-Laddha and McAllister. The thermophysical properties under study were fit to the Jouyban-Acree model. The excess values were correlated using Redlich-Kister polynomial equation to obtain their coefficients and standard deviations. The data obtained fitted with the values correlated by the corresponding models very well. The results are interpreted in terms of molecular interactions occurring in the solution. Content Type Journal Article Category Physical Chemistry of Solutions Pages 1947-1952 DOI 10.1134/S0036024412130195 Authors K. Saravanakumar, Department of Chemical Engineering, Sathyabama University, Chennai, 600119 India R. Baskaran, Department of Chemical Engineering, St. Joseph’s College of Engineering, Chennai-119, India T. R. Kubendran, Department of Chemical Engineering, A.C. College of Technology, Anna University, Chennai, 600025 India Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    The solubilities in the KCl-MgCl 2 -H 2 O system were determined at 50 and 75°C and the phase diagrams and the diagram of refractive index vs composition were plotted. Two invariant point, three univariant curves, and three crystallization zones, corresponding to potassium chloride, hexahydrate (MgCl 2 · 6H 2 O) and double salt (KCl · MgCl 2 · 6H 2 O) showed up in the phase diagrams of the ternary system, The mixing parameters θ K, Ca and Ψ K, Ca, Cl and equilibrium constant K sp were evaluated in KCl-MgCl 2 -H 2 O system by least-squares optimization procedure, in which the single-salt Pitzer parameters of KCl and MgCl 2 β (0) , β (1) , β (2) , and C ϕ were directly calculated from the literature. The results obtained were in good agreement with the experimental data. Content Type Journal Article Category Physical Chemistry of Solutions Pages 1930-1935 DOI 10.1134/S0036024412130146 Authors Ji-min Yang, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Jing Peng, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Yu-xia Duan, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Chong Tian, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Mei Ping, Experimental Centre, Linyi University, Linyi, 276005 China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    The insertion reactions of the germylenoid H 2 GeClMgCl with RH (R = F, OH, NH 2 ) have been studied by using the DFT B3LYP and QCISD methods. The geometries of the stationary points on the potential energy surfaces of the reactions were optimized at the B3LYP/6-311+G( d , p ) level of theory. The calculated results indicate that all the mechanisms of the three insertion reactions are identical to each other. The QCISD/6-311++G( d , p )//B3LYP/6-311+G( d , p ) calculated potential energy barriers for the three insertion reactions of R = F, OH, and NH 2 are 164.62, 193.30, and 200.73 kJ mol −1 , and the reaction energies for the three reactions are −57.46, −35.65, and −22.22 kJ mol −1 , respectively. Under the same situation, the insertion reactions should occur easily in the following order H-F 〉 H-OH 〉 H-NH 2 . In THF solvent the insertion reactions get more difficult than in gas phase. Content Type Journal Article Category Structure of Matter and Quantum Chemistry Pages 1969-1973 DOI 10.1134/S0036024412130225 Authors Wen-Zuo Li, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Yu-Wei Pei, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Jian-Bo Cheng, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Qing-Zhong Li, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Bao-An Gong, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    The gas-phase reaction of palladium atom with acetone is investigated using density functional theory. Geometries and energies of the reactants, intermediates, and products involved are calculated. Both ground and excited state potential energy surfaces are investigated in detail. The present results show that the title reaction start with the formation of an η 2 -CH 3 COCH 3 -metal complex, followed by C-O, C-H, and C-C activation. These reactions can lead to four different products (PdO + C 3 H 6 , PdCH 2 COCH 3 + H, PdCH 2 + CH 3 CHO, and PdCOCH 2 + CH 4 ). The present results may be helpful in understanding the mechanism of the title reaction and further experimental investigation of the reaction. Content Type Journal Article Category Structure of Matter and Quantum Chemistry Pages 1982-1990 DOI 10.1134/S0036024412130092 Authors Guo-Liang Dai, School of Pharmaceutical and Chemical Engineering, Taizhou University, Linhai, 317000 China Chuan-Feng Wang, School of Pharmaceutical and Chemical Engineering, Taizhou University, Linhai, 317000 China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    In this paper, biomimetic synthesis of calcium carbonate (CaCO 3 ) in the presence of biomolecules of two vegetables-tomato and capsicum is investigated. Scanning electron microscopy and X-ray powder diffractometry were used to characterize the CaCO 3 obtained. The biomolecules in the extracts of two vegetables are determined by UV-vis or FTIR. The results indicate that a mixture of calcite and vaterite spheres constructed from small particles is produced with the extract of tomato, while aragonite rods or ellipsoids are formed in the presence of extract of capsicum. The possible formation mechanism of the CaCO 3 crystals with tomato biomolecules can be interpreted by particle-aggregation based non-classical crystallization laws. The proteins and/or other biomolecules in tomato and capsicum may control the formation of vaterite and aragonite crystals by adsorbing onto facets of them. Content Type Journal Article Category Biophysical Chemistry Pages 2071-2075 DOI 10.1134/S003602441213016X Authors Long Chen, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Wang-Hua Xu, School of Chemistry and Chemical Engineering, Anqing Teachers College, Anqing, 246011 P. R. China Ying-Guo Zhao, School of Chemistry and Chemical Engineering, Anqing Teachers College, Anqing, 246011 P. R. China Yan Kang, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Shao-Hua Liu, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Zai-Yong Zhang, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    The Er 3+ :Y 3 Al 5 O 12 , an upconversion luminescence agent, which is able to transform the visible light to ultraviolet light, was synthesized by nitrate-citric acid method. And then, a novel photocatalyst, Er 3+ :Y 3 Al 5 O 12 /ZnO composites, was prepared by ultrasonic dispersing and liquid boil method. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to characterize the structural morphology and surface properties of the Er 3+ :Y 3 Al 5 O 12 /ZnO. Azo Fuchsine dye was selected as target organic pollutant to inspect the photocatalytic activity of Er 3+ :Y 3 Al 5 O 12 /ZnO. The key parameters affecting the photocatalytic activity of Er 3+ :Y 3 Al 5 O 12 /ZnO, such as Er 3+ :Y 3 Al 5 O 12 content, heat-treatment temperature and heat-treatment time, were studied. In addition, the effects of dye initial concentration, Er 3+ :Y 3 Al 5 O 12 /ZnO amount and solar light irradiation time were also reviewed, as well as the photocatalytic activity in degradation of other organic dyes were compared. It was found that the photocatalytic activity of Er 3+ :Y 3 Al 5 O 12 /ZnO was much superior to pure ZnO under the same conditions. Thus, the Er 3+ :Y 3 Al 5 O 12 /ZnO is a useful photocatalyst for the wastewater treatment because it can efficiently utilize solar light by converting visible light into ultraviolet light. Content Type Journal Article Category Photochemistry and Magnetochemistry Pages 2049-2056 DOI 10.1134/S0036024412130262 Authors L. N. Yin, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Y. Li, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China J. Wang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Y. M. Kong, College of Pharmacy, Liaoning University, Shenyang, 110036 P. R. China Y. Zhai, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China B. X. Wang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China K. Li, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China X. D. Zhang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    In this work, we report the formation of leaf-like ZnO nanoflakes by anodization of zinc foil in a mixture of ammonium sulfate and sodium hydroxide electrolytes under various applied voltage and concentration of sodium hydroxide. The morphology and structure of ZnO nanoflakes were investigated by field emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffraction analysis. In addition, the photocatalytic activity of the prepared nanoflakes zinc oxide was evaluated in the photodegradation of organic dye methylene blue (MB) solution under UV irradiation. It was found that zinc oxide prepared under high concentration of sodium hydroxide and high voltage showed better performance in the photodegradation of methylene blue. Content Type Journal Article Category Photochemistry and Magnetochemistry Pages 2041-2048 DOI 10.1134/S0036024412130171 Authors Muhammad Akhyar Farrukh, Department of Chemistry, GC University Lahore, Lahore, 54000 Pakistan Chin-Kiat Thong, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang, Malaysia Rohana Adnan, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang, Malaysia Mohd Amirrul Kamarulzaman, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang, Malaysia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Description:    An array of non-overgrown InAs/GaAs quantum dots has been decorated with adsorbed metal atoms in situ in ultrahigh vacuum. Their electron and photoemission properties have been studied. The radical modification of the spectra of the threshold emission from the quantum dots with increasing cesium coating has been found. Two photoemission channels have been established; they are characterized by considerably different intensities, spectral locations, and widths of the selective bands. It has been shown that the decoration of the quantum dots makes it possible to control the electronic structure and quantum yield of photoemission, the nature of which is related to the excitation of the electronic states of the GaAs substrate and InAs/GaAs quantum dots. Content Type Journal Article Category Condensed Matter Pages 332-335 DOI 10.1134/S0021364012170031 Authors G. V. Benemanskaya, Ioffe Physical Technical Institute, Russian Academy of Sciences, St. Petersburg, 194021 Russia M. N. Lapushkin, Ioffe Physical Technical Institute, Russian Academy of Sciences, St. Petersburg, 194021 Russia V. P. Evtikhiev, Ioffe Physical Technical Institute, Russian Academy of Sciences, St. Petersburg, 194021 Russia A. S. Shkol’nik, Ioffe Physical Technical Institute, Russian Academy of Sciences, St. Petersburg, 194021 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 5

Description:    We report molecular dynamics calculations on the evolution of Co-Au and Ag-Au alloy nanowires stretched along the [100], [110] and [111] crystallographic directions. The strong tendency of chain formation has been found for Ag-Au alloy. On the contrary the Co-Au alloy presents a different breaking pattern. In particular, we have found the formation of tetramer alloy nanowires. Finally, we present the mechanical properties of alloy nanocontacts. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-30352-3 Authors A. L. Klavsyuk, Faculty of Physics, Moscow State University, 119991 Moscow, Russian Federation S. V. Kolesnikov, Faculty of Physics, Moscow State University, 119991 Moscow, Russian Federation I. K. Gainullin, Faculty of Physics, Moscow State University, 119991 Moscow, Russian Federation A. M. Saletsky, Faculty of Physics, Moscow State University, 119991 Moscow, Russian Federation Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    Using X-microtomography and non equilibrium classical molecular dynamics, we present a study of the elementary processes of spallation of single crystal tantalum. The single crystal is illuminated by a laser pulse which induces the propagation of a strong unsustained shock. The analysed data mainly are number and shape of pores resulting from the tensile inside the material when the incident shock reflects on the opposite face. Experimental pores size distribution exhibits two power laws attributed to the growth and the coalescence stages. The average pore shape is ellipsoid with main axis along the shock axis propagation. This first part is completed by a large scale molecular dynamics simulation mimics at reduced scale the real experiment. After preliminary calculations validating the chosen potential function the formation and shock propagation is detailed. Then we extract from the simulation similar data than in experiment. The pores size distribution shows three power laws identified as the nucleation, the growth and the coalescence stages. The slopes of the two last stages are very similar to the experimental one, confirming the scale invariance of this data as suggested by their analytical form. The general pore shape also is close to the experiment shape but with a different orientation (perpendicular to the shock propagation axis). Content Type Journal Article Category Regular Article Pages 1-15 DOI 10.1140/epjb/e2012-30269-9 Authors L. Soulard, CEA, DAM, DIF, 91297 Arpajon, France J. Bontaz-Carion, CEA, DAM, DIF, 91297 Arpajon, France J. P. Cuq-Lelandais, CEA, DAM, Valduc, 21120 Is-sur-Tille, France Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    The modulational instability of a plane wave for the perturbed non-integrable Ablowitz-Ladik equation for α -helix proteins is analyzed. Through the linear stability analysis, we observe that the presence of additional terms in the Ablowitz-Ladik equation tends to suppress modulational instability. Numerical simulations are performed in order to verify our analytical predictions. The presence of extended terms in the Ablowitz-Ladik equation tends to compactify and split the emerging localized structures. Particular attention is paid to the emergence of multi-hump structures, and the biological relevance of the latter is discussed. Content Type Journal Article Category Regular Article Pages 1-6 DOI 10.1140/epjb/e2012-21076-5 Authors R. Y. Ondoua, Laboratory of Biophysics, Department of Physics, Faculty of Science, University of Yaoundé I, P.O. Box 812, Yaoundé, Cameroon C. B. Tabi, Laboratory of Biophysics, Department of Physics, Faculty of Science, University of Yaoundé I, P.O. Box 812, Yaoundé, Cameroon H. P. Ekobena Fouda, Laboratory of Biophysics, Department of Physics, Faculty of Science, University of Yaoundé I, P.O. Box 812, Yaoundé, Cameroon A. Mohamadou, Laboratory of Biophysics, Department of Physics, Faculty of Science, University of Yaoundé I, P.O. Box 812, Yaoundé, Cameroon T. C. Kofané, Laboratory of Mechanics, Department of Physics, Faculty of Science, University of Yaoundé I, P.O. Box 812, Yaoundé, Cameroon Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 9

Description:    In a recent publication [J.A. Berger, L. Reining, F. Sottile, Phys. Rev. B 82 , 041103(R) (2010)] we introduced the effective-energy technique to calculate in an accurate and numerically efficient manner the GW self-energy as well as the polarizability, which is required to evaluate the screened Coulomb interaction W . In this work we show that the effective-energy technique can be used to further simplify the expression for the polarizability without a significant loss of accuracy. In contrast to standard sum-over-state methods where huge summations over empty states are required, our approach only requires summations over occupied states. The three simplest approximations we obtain for the polarizability are explicit functionals of an independent- or quasi-particle one-body reduced density matrix. We provide evidence of the numerical accuracy of this simplified effective-energy technique as well as an analysis of our method. Content Type Journal Article Category Regular Article Pages 1-10 DOI 10.1140/epjb/e2012-30237-5 Authors J. A. Berger, Laboratoire de Chimie et Physique Quantiques, (UMR 5626 du CNRS), IRSAMC, Université P. Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex, France L. Reining, Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM, 91128 Palaiseau, France F. Sottile, Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM, 91128 Palaiseau, France Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 9

Description:    The mass spectrometry study has indicated that the magnetic field accelerates the oxidation of the surface of silicon crystals. The oxidation rate also depends on the nuclear spin of silicon: the oxidation rate of atoms with magnetic nuclei ( 29 Si) is almost twice as high as that of atoms with spinless, unmagnetized nuclei ( 28 Si and 30 Si). Both effects—magnetic field and magnetic isotope—reliably prove that the oxidation of silicon is a spin-selective reaction involving radicals and radical pairs as intermediate paramagnetic particles. A spin-selective magnetic sensitive oxidation mechanism is discussed. Content Type Journal Article Category Condensed Matter Pages 102-104 DOI 10.1134/S002136401214007X Authors O. V. Koplak, Scientific-Educational Center FKhM, Kyiv University and National Academy of Sciences of Ukraine, Kyiv, 01033 Ukraine R. B. Morgunov, Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia A. L. Buchachenko, Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    An explanation of an anomalously narrow microwave absorption line in superfluid 4 He has been proposed. It has been shown that the experimentally observed resonance linewidth agrees with the assumption of parametric excitation of a macroscopic coherent roton state. Content Type Journal Article Category Condensed Matter Pages 98-98 DOI 10.1134/S0021364012140081 Authors L. A. Melnikovsky, Institute for Physical Problems, Russian Academy of Sciences, ul. Kosygina 2, Moscow, 119334 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    A light emitting diode has been developed on the basis of multilayer nanostructures in which CdSe/CdS semiconductor colloidal quantum dots serve as emitters. Their absorption, photo-, and electroluminescence spectra have been obtained. The strong influence of the size effect and the density of particles in the layer on the spectral and electrophysical characteristics of the diode has been demonstrated. It has been shown that the rates of the transfer of the exciton excitation energy from organic molecules to quantum dots increase strongly even at a small increase in the radius of the core (CdSe) of a particle and depend strongly on the thickness of the shell (CdS) of the particle. The optimal arrangement of the layer of quantum dots with respect to the p-n junction has been estimated from the experimental data. The results demonstrate that the spectral characteristics and rates of the electron processes in light-emitting devices based on quantum dots incorporated into an organic matrix can be efficiently controlled. Content Type Journal Article Category Condensed Matter Pages 113-117 DOI 10.1134/S0021364012140135 Authors A. A. Vashchenko, Lebedev Physical Institute, Russian Academy of Sciences, Moscow, 119991 Russia V. S. Lebedev, Lebedev Physical Institute, Russian Academy of Sciences, Moscow, 119991 Russia A. G. Vitukhnovskii, Lebedev Physical Institute, Russian Academy of Sciences, Moscow, 119991 Russia R. B. Vasiliev, Faculty of Materials Science, Moscow State University, Moscow, 119992 Russia I. G. Samatov, Faculty of Materials Science, Moscow State University, Moscow, 119992 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    The polarization properties of extraordinary microwave transmission through perforated duralumin films are investigated both theoretically and experimentally. It is shown that resonance wavelength at which transmission efficiency reaches maximum value depends on the incident radiation polarization. Content Type Journal Article Category Condensed Matter Pages 99-101 DOI 10.1134/S0021364012140068 Authors S. E. Grigas, Faculty of Physics, Moscow State University, Moscow, 119992 Russia A. G. Rzhanov, Faculty of Physics, Moscow State University, Moscow, 119992 Russia V. N. Semenenko, Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, Moscow, 125412 Russia V. A. Chistyaev, Institute for Theoretical and Applied Electrodynamics, Russian Academy of Sciences, Moscow, 125412 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    We investigate the disturbance of the InAs nanowire resistance by a conductive tip of a scanning probe micro-scope at helium temperature as a function of the tip position in close vicinity to the nanowire. At the tip displacement along the wire the resistance ( R wire ∼ 30 kΩ, what is typical for diffusive regime) demonstrates quasi-periodical oscillations with an amplitude about 3%. The period of the oscillations depends on the number of electrons in the nanowire and is consistent with expected for standing electron waves caused by ballistic electrons in the top subband of the InAs nanowire. Content Type Journal Article Category Condensed Matter Pages 109-112 DOI 10.1134/S0021364012140159 Authors A. A. Zhukov, Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia Ch. Volk, Grünberg Institut (PGI-9), Forschungszentrum Jülich, 52425 Jülich, Germany A. Winden, Grünberg Institut (PGI-9), Forschungszentrum Jülich, 52425 Jülich, Germany H. Hardtdegen, Grünberg Institut (PGI-9), Forschungszentrum Jülich, 52425 Jülich, Germany Th. Schäpers, Grünberg Institut (PGI-9), Forschungszentrum Jülich, 52425 Jülich, Germany Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    Schramm-Loewner evolution (SLE) and conformal field theory (CFT) are popular and widely used instruments to study critical behavior of two-dimensional models, but they use different objects. While SLE has natural connection with lattice models and is suitable for strict proofs, it lacks computational and predictive power of conformal field theory. To provide a way for the concurrent use of SLE and CFT, CFT correlation functions, which are martingales with respect to SLE, are considered. A relation between parameters of Schramm-Loewner evolution on coset space and algebraic data of coset conformal field theory is revealed. The consistency of this approach with the behavior of parafermionic and minimal models is tested. Coset models are connected with off-critical massive field theories and implications of SLE are discussed. Content Type Journal Article Category Fields, Particles, and Nuclei Pages 90-93 DOI 10.1134/S0021364012140093 Authors A. Nazarov, Department of High-Energy and Elementary Particle Physics, Faculty of Physics and Chebyshev Laboratory, Faculty of Mathematics and Mechanics, St. Petersburg State University, St. Petersburg, 198904 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    Hadron production in lepton-nucleus interactions at high energies is considered in the framework of developing Monte Carlo event generator HARDPING (HARD Probe INteraction Generator). Such effects as formation length, energy loss and multiple rescattering for produced hadrons and their constituents are implemented in the HARDPING 2.0 generator. Available data from HERMES collaboration on hadron production in lepton-nucleus collisions are described by the present version of the HARDPING generator in a reasonable agreement. Content Type Journal Article Category Fields, Particles, and Nuclei Pages 85-89 DOI 10.1134/S0021364012140020 Authors Ya. A. Berdnikov, St.-Petersburg State Polytechnical University, St. Petersburg, 195251 Russia A. E. Ivanov, St.-Petersburg State Polytechnical University, St. Petersburg, 195251 Russia V. T. Kim, St.-Petersburg State Polytechnical University, St. Petersburg, 195251 Russia V. A. Murzin, St. Petersburg Nuclear Physics Institute, Gatchina, 188300 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    A simple description has been proposed for the renormalization of the conduction band parameters in cuprates owing to the interaction of the current carriers with phonons. Kinks in the quasiparticle dispersion law in the optical phonon mode region (70 meV, compound Bi 2 Sr 2 CaCu 2 O 8 − x ) and data on the temperature dependence of the superconducting current density in YBa 2 Cu 3 O 7 have been analyzed. Ideas of new experiments have been discussed. Content Type Journal Article Category Condensed Matter Pages 105-108 DOI 10.1134/S0021364012140044 Authors M. V. Eremin, Institute of Physics, Kazan (Volga Region) Federal University, Kazan, 420008 Russia M. A. Malakhov, Institute of Physics, Kazan (Volga Region) Federal University, Kazan, 420008 Russia D. A. Sunyaev, Institute of Physics, Kazan (Volga Region) Federal University, Kazan, 420008 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    Spectral properties of LiFeAs superconductor are investigated within the LDA+DMFT method. Calculated distribution of the spectral weight in the k -space is in good agreement with angle-resolved photoemission (ARPES) spectra. Calculated effective electron mass enhancement factor m */ m ≈ 3 is close to the one estimated from comparison of density-functional theory results with ARPES spectra. Our results demonstrate that inclusion into consideration of dynamical Coulomb correlations between the electrons plays a key role in understanding of the spectral properties of LiFeAs. Content Type Journal Article Category Condensed Matter Pages 118-122 DOI 10.1134/S0021364012140111 Authors S. L. Skornyakov, Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990 Russia D. Y. Novoselov, Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990 Russia T. Gürel, Department of Physics, Namik Kemal University, 59030 Tekirdag, Turkey V. I. Anisimov, Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    We predict the insulator-metal-insulator transitions for the temperature and pressure of the lower mantle with the metal layer thickness Δ h ≈ 400 km at the depth of 1400–1800 km. The insulator-metal transition has the Mott-Hubbard origin, while the second transition from metal to insulator results from spin crossover of the Fe 2+ ions from high spin S = 2 to low spin S = 0 state. The conductivity in the metal layer may attain 250 S/m. The depth profile of the conductivity is also suggested. Content Type Journal Article Category Miscellaneous Pages 129-132 DOI 10.1134/S002136401214010X Authors S. G. Ovchinnikov, Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036 Russia T. M. Ovchinnikova, Sukhachev Institute of Forest, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036 Russia P. G. Dyad’kov, Trofimuk Institute of Petroleum-Gas Geology and Geophysics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia V. V. Plotkin, Trofimuk Institute of Petroleum-Gas Geology and Geophysics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia K. D. Litasov, Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    Experimental studies of the phase diagram of Bose condensation in a system of spatially indirect dipolar excitons in GaAs/AlGaAs quantum wells are reviewed. The properties of spatially periodic patterns arising in the luminescence of the exciton Bose condensate in a ring-shaped potential trap and the coherence of the condensate luminescence are discussed. Content Type Journal Article Category Scientific Summaries Pages 138-147 DOI 10.1134/S0021364012140056 Authors A. V. Gorbunov, Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia V. B. Timofeev, Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    Photoemission induced by vacuum ultraviolet resonance radiation of xenon atoms from the surface of a solid in vacuum and in the case of a target in contact with a gas has been experimentally studied. It has been demonstrated that the photoemission response increases strongly (up to an order of magnitude) under the adsorption (or implantation) of gas atoms into the target when vacuum ultraviolet radiation resonantly acts on these atoms. This is due to different mechanisms of photoemission from the surface of the solid in vacuum and from the surface in contact with the gas. The notion of activated resonant photoemission has been introduced. Content Type Journal Article Category Miscellaneous Pages 133-137 DOI 10.1134/S0021364012140032 Authors P. A. Bokhan, Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, pr. akademika Lavrent’eva 13, Novosibirsk, 630090 Russia D. E. Zakrevsky, Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, pr. akademika Lavrent’eva 13, Novosibirsk, 630090 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    The nature of the set of free fields that represent the system at the critical point has been revealed by studying the correlation functions of the degrees of freedom of the gauge supersymmetric Ising model on the cubic lattice. The same set of free fields represents the continuous supersymmetric Abelian gauge theory. Thus, the name of the lattice system is appropriate. Comparison with the two-dimensional Ising model is given. Content Type Journal Article Category Methods of Theoretical Physics Pages 123-128 DOI 10.1134/S0021364012140147 Authors S. N. Vergeles, Landau Institute for Theoretical Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    The possibility of the generation of quasi-cw terahertz radiation by the optical rectification method for broad-band Fourier unlimited nanosecond laser pulses has been experimentally demonstrated. The broadband radiation of a LiF dye-center laser is used as a pump source of a nonlinear optical oscillator. The energy efficiency of terahertz optical frequency conversion in a periodically polarized lithium niobate crystal is 4 × 10 −9 at a pump power density of 7 MW/cm 2 . Content Type Journal Article Category Astrophysics and Cosmology Pages 94-97 DOI 10.1134/S0021364012140123 Authors A. N. Tuchak, Moscow State University, Moscow, 119991 Russia G. N. Gol’tsman, Moscow State Pedagogical University, ul. Malaya Pirogovskaya 1, Moscow, 119991 Russia G. Kh. Kitaeva, Moscow State University, Moscow, 119991 Russia A. N. Penin, Moscow State University, Moscow, 119991 Russia S. V. Seliverstov, Moscow State Pedagogical University, ul. Malaya Pirogovskaya 1, Moscow, 119991 Russia M. I. Finkel, Moscow State Pedagogical University, ul. Malaya Pirogovskaya 1, Moscow, 119991 Russia A. V. Shepelev, Gubkin State University of Oil and Gas, Leninskii pr. 65, Moscow, 119991 Russia P. V. Yakunin, Moscow State University, Moscow, 119991 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 2

Description:    The ethylene glycol-1,4-dioxane system is studied by means of differential scanning calorimetry over a wide range of temperatures (−90 to 25°C) and is found to be a simple eutectic with the eutectic point at 10 mol % of dioxane (−16.5°C). Unlike a water-dioxane system, in which the clathrate with dioxane: H 2 O = 1: 34 ratio is formed, the observed phase diagram showed no evidence of clathrate formation, due presumably to its hydrogen bond geometry and the intermolecular interaction properties of ethylene glycol. Content Type Journal Article Category Short Communications Pages 1745-1746 DOI 10.1134/S0036024412110234 Authors M. N. Rodnikova, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia I. A. Solonina, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia M. R. Kiselev, Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, 119071 Russia S. V. Makaev, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    The solubility of atmospheric oxygen in solutions of surfactants of different natures at 293 K and pH 8 is determined by gas chromatography. It is found that additives of nonionic surfactants decrease the oxygen content in the solution in the premicellar region and increase its solubility in the micellar region. It is shown that, for anionic surfactants, a decrease in the solubility of O 2 is observed over the entire concentration range. Content Type Journal Article Category Short Communications Pages 1753-1755 DOI 10.1134/S0036024412110088 Authors G. V. Chistyakova, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, 153045 Russia S. A. Koksharov, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, 153045 Russia T. V. Vladimirova, Ivenergo, Ivanovo, 153326 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    It was shown that after partial dehydration occurs a simultaneous condensation of four mol of initial monomer Gd(NO 3 ) 3 · 6H 2 O into a tetramer Gd 4 O 4 (NO 3 ) 4 . The heterocycle containing 4 gadolinium atoms gradually loses N 2 O 5 and, through the formation of unstable oxynitrates, is transformed into Gd 2 O 3 . The interatomic distances and angles were calculated using the molecular mechanics method. The comparison of the potential energies of consecutive oxyphosphates permitted an evaluation of their stability. The models of intermediate oxynitrates represent a reasonably good approximation to the real structures and a proper interpretation of experimental data. Content Type Journal Article Category Chemical Kinetics and Catalysis Pages 1659-1663 DOI 10.1134/S0036024412110180 Authors P. P. Melnikov, Federal University of Mato Grosso do Sul/UFMS, Caixa Postal 549, Campo Grande/MS, Brazil V. A. Nascimento, Federal University of Mato Grosso do Sul/UFMS, Caixa Postal 549, Campo Grande/MS, Brazil L. Z. Zanoni Consolo, Federal University of Mato Grosso do Sul/UFMS, Caixa Postal 549, Campo Grande/MS, Brazil Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    A dimensionless complex containing the surface free energy of a crystal-liquid interface γ, and the entropy jump, temperature, and density of a crystal phase is described using the phenomenology of thermodynamic similarity; this complex remains constant at the melting line. It is demonstrated that the complex refines the result obtained by Skripov and Faizullin in [6] and enables us to estimate the temperature dependence of γ. Our calculations show that the surface free energy of the crystal-liquid interface of normally melting compounds is a monotonically increasing function of temperature. Content Type Journal Article Category Short Communications Pages 1763-1765 DOI 10.1134/S0036024412110040 Authors V. G. Baidakov, Institute of Thermal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620016 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    Thermodynamic parameters are determined for the adsorption of vapors of hydrocarbons and polar compounds of different structure on carbon adsorbent modified by a monomolecular layer of heptakis (2,3,6-tri- O -benzoyl)-β-cyclodextrin. The effect of the structure and polarity of organic compounds on adsorption onto an adsorbent support with a chiral macrocyclic modifier are considered. Content Type Journal Article Category Short Communications Pages 1769-1772 DOI 10.1134/S0036024412110155 Authors K. A. Kopytin, Samara State University, Samara, 443011 Russia S. Yu. Kudryashov, Samara State University, Samara, 443011 Russia N. G. Gerasimova, Samara State University, Samara, 443011 Russia L. A. Onuchak, Samara State University, Samara, 443011 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    A thermodynamic variation of the Lindemann criterion for the vaporization of metals is proposed. It is shown that the critical amplitude of vibrations of atoms at the boiling point averages 1.42 bond lengths. Close values of interatomic distances result from the Vinet universal equation for the atomization of metals under the action of high temperatures (1.48) and negative pressures (1.50). The last value corresponds to the Van der Waals distances between metal atoms. Content Type Journal Article Category Short Communications Pages 1759-1762 DOI 10.1134/S0036024412110052 Authors S. S. Batsanov, Institute of Structural Macrokinetics and Problems of Materials Science, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    Samples of composite nanomaterials obtained by the thermal treatment of mixtures of MoO 3 nano-dispersed powder and ultrafine powder of Mo with precipitate from removing iron from groundwater are studied by means of X-ray diffraction and infrared spectroscopy. The structure of these samples (phase composition, average crystallite size, microdistortions (microstresses) of their crystal lattices, and certain texture parameters) are determined. It is suggested that under certain conditions, shells from the nanoparticles of Mo and/or MoO 3 are formed on the surface of sediment particles, preventing the identification of iron-containing phases. Estimates are made of the sorption activity of some materials with respect to carbon monoxide (CO). Content Type Journal Article Category Physical Chemistry of Nanoclusters and Nanomaterials Pages 1689-1696 DOI 10.1134/S0036024412110210 Authors L. Yu. Novoselova, Institute of Petroleum Chemistry, Siberian Branch, Russian Academy of Sciences, Tomsk, 634021 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    A table for determining the first derivatives of thermodynamic parameters is proposed. The table differs from the familiar Suvorov table in that the five dimension parameters are replaced with four dimensionless thermodynamic parameters. Content Type Journal Article Category Short Communications Pages 1747-1750 DOI 10.1134/S003602441211009X Authors V. P. Dobrodeev, Rybinsk State Aviation Technological Academy, Rybinsk, 152934 Russia N. A. Kalyaeva, Rybinsk State Aviation Technological Academy, Rybinsk, 152934 Russia A. V. Dobrodeev, Rybinsk State Aviation Technological Academy, Rybinsk, 152934 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    The conjugated diffusion transport of amino acid and mineral salt through a profiled sulfo group cation exchange membrane that simulates the extraction of amino acid from wash waters of microbiological production containing mineral components not used in synthesis is studied. The competitive nature of the conjugation of flows resulting in a decrease in the rate of the mass transfer of components and their separation factor is established from a comparative analysis of experimental data on the diffusion transfer of phenylalanine and sodium chloride in the form of hydrogen from individual and mixed solutions through a profiled sulfo group cation exchange membrane. The range of concentrations and the ratio of components in solution corresponding to the effective separation of phenylalanine and sodium chloride are determined. Content Type Journal Article Category Physical Chemistry of Separation Processes: Chromatography Pages 1726-1731 DOI 10.1134/S0036024412110271 Authors V. I. Vasil’eva, Voronezh State University, Voronezh, 394006 Russia E. A. Vorob’eva, Voronezh State University, Voronezh, 394006 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Description:    Heat conduction is an important energy transport process in nature. Phonon is the major energy carrier for heat in semiconductors and dielectric materials. In analogy to Ohm’s law of electrical conduction, Fourier’s law is the fundamental law of heat conduction in solids. Although Fourier’s law has received great success in describing macroscopic heat conduction in the past two hundred years, its validity in low dimensional systems is still an open question. Here we give a brief review of the recent developments in experimental, theoretical and numerical studies of heat conduction in low dimensional systems, including lattice models and low dimensional nanostructures such as nanowires, nanotubes and graphene. We will demonstrate that phonons transport in low dimensional systems superdiffusively, which leads to a size dependent thermal conductivity. In other words, Fourier’s law is not applicable in low dimensional structures. Content Type Journal Article Category Colloquium Pages 1-20 DOI 10.1140/epjb/e2012-30383-8 Authors S. Liu, NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, 117456 Singapore, Republic of Singapore X. F. Xu, Centre for Computational Science and Engineering, Graphene Research Centre, Department of Physics, National University of Singapore, 117546 Singapore, Republic of Singapore R. G. Xie, Centre for Computational Science and Engineering, Graphene Research Centre, Department of Physics, National University of Singapore, 117546 Singapore, Republic of Singapore G. Zhang, Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing, 100871 P.R. China B. W. Li, NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, 117456 Singapore, Republic of Singapore Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    In this paper, we present a study of magnetic properties of NiFe thin film deposited onto polymer substrate (Kapton®). A complete study of the magnetic anisotropy is made thanks to ferromagnetic resonance. In-plane and out-of-plane anisotropies in the film are obtained due to the elaboration process. Furthermore, the magnetization is manipulated by applying uniaxial stress in the film. The stress-induced apparition of stripes domains from a saturated configuration is evidenced by in situ Brillouin light scattering and magnetic force microscopy studies. The saturating field is derived from the Muller criterion. The magnetostriction coefficient is evaluated from the applied stress allowing the stripes domains regeneration. Content Type Journal Article Category Regular Article Pages 1-7 DOI 10.1140/epjb/e2012-30274-0 Authors W. Karboul-Trojet, LSPM-CNRS (UPR 3407), Université Paris 13, 99 avenue Jean-Baptiste Clément, 93430 Villetaneuse, France Y. Roussigné, LSPM-CNRS (UPR 3407), Université Paris 13, 99 avenue Jean-Baptiste Clément, 93430 Villetaneuse, France D. Faurie, LSPM-CNRS (UPR 3407), Université Paris 13, 99 avenue Jean-Baptiste Clément, 93430 Villetaneuse, France S. M. Chérif, LSPM-CNRS (UPR 3407), Université Paris 13, 99 avenue Jean-Baptiste Clément, 93430 Villetaneuse, France Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    The influence of an external electric field on the binding energies of the ground state and excited states with the third-harmonic-generation (THG) coefficient for spherical quantum dot (QD) with parabolic confinement is investigated theoretically. The energy levels and wave functions of electronic states in the QDs are calculated using by variational method within the effective-mass approximation. The numerical results demonstrate that the THG coefficient very sensitively depends on the magnitude of the electric field and the radius of the QDs. In addition, the THG coefficient also depends on the relaxation rate of the spherical QD with parabolic confinement and the position of impurity. Content Type Journal Article Category Regular Article Pages 1-7 DOI 10.1140/epjb/e2012-30361-2 Authors M. Kirak, Department of Science Education, Faculty of Education, Bozok University, 66100 Yozgat, Turkey Y. Altinok, Institute of Science, Bozok University, 66100 Yozgat, Turkey Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    We have investigated the complex magnetic properties of Fe 1− x Mn x C y alloys by using an iterative combination of ab initio calculations and Monte Carlo simulations. The latter gives insight into finite temperature magnetism and allows to determine the critical temperature of magnetic phase transitions. We restrict the investigation to ordered systems with 25, 50 and 75% manganese and study the influence of carbon at octahedral interstitial sites on the magnetic properties. The combination of ab initio calculations with Monte Carlo simulations turns out to be a powerful tool to determine the complex magnetic structures, which originate from the competition of ferro- and antiferromagnetic interactions in the FeMn alloys. Content Type Journal Article Category Regular Article Pages 1-13 DOI 10.1140/epjb/e2012-30321-x Authors D. Comtesse, Faculty of Physics, University of Duisburg-Essen and CENIDE, 47048 Duisburg, Germany H. C. Herper, Faculty of Physics, University of Duisburg-Essen and CENIDE, 47048 Duisburg, Germany A. Hucht, Faculty of Physics, University of Duisburg-Essen and CENIDE, 47048 Duisburg, Germany P. Entel, Faculty of Physics, University of Duisburg-Essen and CENIDE, 47048 Duisburg, Germany Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    We show how exact diagonalization of small clusters can be used as a fast and reliable impurity solver by determining the phase diagram and physical properties of the bosonic single-impurity Anderson model. This is specially important for applications which require the solution of a large number of different single-impurity problems, such as the bosonic dynamical mean field theory of disordered systems. In particular, we investigate the connection between spontaneous global gauge symmetry breaking and the occurrence of Bose-Einstein condensation (BEC). We show how BEC is accurately signaled by the appearance of broken symmetry, even when a fairly modest number of states is retained. The occurrence of symmetry breaking can be detected both by adding a small conjugate field or, as in generic quantum critical points, by the divergence of the associated phase susceptibility. Our results show excellent agreement with the considerably more demanding numerical renormalization group (NRG) method. We also investigate the mean impurity occupancy and its fluctuations, identifying an asymmetry in their critical behavior across the quantum phase transitions between BEC and ‘Mott’ phases. Content Type Journal Article Category Regular Article Pages 1-9 DOI 10.1140/epjb/e2012-30191-2 Authors J. H. Warnes, Instituto de Física Gleb Wataghin, Rua Sérgio Buarque de Holanda, 777, CEP 13083-859 Campinas, SP, Brazil E. Miranda, Instituto de Física Gleb Wataghin, Rua Sérgio Buarque de Holanda, 777, CEP 13083-859 Campinas, SP, Brazil Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    Employing the extended dynamical mean field theory (EDMFT) and the quantum Monte Carlo (QMC) method, we investigate the effect of the spatial fluctuations in the two-band Hubbard model with anisotropic bandwidth in the vicinity of the Mott metal-insulator transition. At half filling, we demonstrate that while the inclusion of the non-local spin-spin interaction amounts to enhancing the correlation and suppressing the metallic character, the orbitally selective Mott transition (OSMT) remains stable for various strengths of the non-local correlation. The same is true when the system is doped away from half filling. The OSMT phase is evidenced at low dopant concentration and the simultaneous metallic phase emerges at overdoped regime. From the analysis of the self energy, it follows that the nature of the metallic phase upon doping violates the Fermi liquid character and persists at considerably large doping. Our theory also offers a new perspective for the investigation of the non-local fluctuation in the multi-orbital system within the single-site scheme. Content Type Journal Article Category Regular Article Pages 1-8 DOI 10.1140/epjb/e2012-30198-7 Authors B. D. Napitu, Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, 06120 Halle, Germany J. Berakdar, Institut für Physik, Martin-Luther-Universität, Halle-Wittenberg, 06099 Halle, Germany Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    The metal-insulator transition for the square, simple cubic, and body centered cubic lattices has been studied within the Hubbard model at half-filling taking into account nearest- and next-nearest-neighbor electron hopping. Both staggered antiferromagnetic and incommensurate magnetic states (spin-spiral wave) have been considered. The inclusion of the latter states for the three-dimensional lattices does not change the general pattern of the metal-insulator transition, but opens the fundamentally new possibility of the metal-insulator transition of the first order between the magnetically ordered states for the square lattice. Content Type Journal Article Category Condensed Matter Pages 171-175 DOI 10.1134/S002136401215012X Authors M. A. Timirgazin, Physical-Technical Institute, Ural Branch, Russian Academy of Sciences, Izhevsk, 426000 Russia A. K. Arzhnikov, Physical-Technical Institute, Ural Branch, Russian Academy of Sciences, Izhevsk, 426000 Russia V. Yu. Irkhin, Physical-Technical Institute, Ural Branch, Russian Academy of Sciences, Izhevsk, 426000 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 3

Description:    Precision measurements of the real and imaginary parts of the microwave surface impedance Z ac ( T ) = R ac ( T ) + iX ac ( T ) of the conducting ac layers of the k -(BEDT-TTF) 2 Cu[N(CN) 2 ]Br crystals in the temperature interval of 0.5 〈 T 〈 100 K have demonstrated a series of features: (i) the temperature course of the field penetration depth is close to linear Δλ ac ( T )∞Δ X ac ( T ) in the superconducting state at T T c ∼ 11.5 K; (ii) the curves R ac ( T ) = X ac ( T ) coincide at T c 〈 T 〈 40 K; (iii) the X ac ( T ) value at T 〉 40 K increases in comparison with R ac ( T ); (iv) the dependence R ac ( T ) at T 〉 40 K is nonmonotonic in thin crystals. These features of the impedance Z ac ( T ) with increasing T are interpreted in terms of (i) the d -type symmetry of the superconducting order parameter, (ii) normal skin effect, (iii) manifestations of the antiferromagnetic fluctuations, and (iv) the size effect. The electrodynamic parameters of k -(BEDT-TTF) 2 Cu[N(CN) 2 ]Br have been determined. Content Type Journal Article Category Condensed Matter Pages 184-187 DOI 10.1134/S0021364012150088 Authors N. V. Perunov, Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia A. F. Shevchun, Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia N. D. Kushch, Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia M. R. Trunin, Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 3

Description:    The experimental conditions that facilitate the excitation of parametric decay instabilities upon the electron cyclotron resonance heating of a plasma at the second harmonic extraordinary wave in tokamaks and stellarators and, as a result, make anomalous absorption of microwave power possible have been analyzed. It has been shown that, in the case of a nonmonotonic radial profile of the plasma density, when the beam of electron cyclotron waves passes near the equatorial plane of a toroidal device, the parametric excitation of electron Bernstein waves, as well as the generation of ion Bernstein waves propagating from the parametric decay region to the nearest ion cyclotron harmonic, where they efficiently interact with ions, is possible. The proposed theoretical model can explain the anomalous generation of accelerated ions observed upon electron cyclotron heating in small and moderate toroidal facilities. Content Type Journal Article Category Plasma, Hydro- and Gas Dynamics Pages 164-170 DOI 10.1134/S002136401215009X Authors A. Yu. Popov, Ioffe Physical Technical Institute, Russian Academy of Sciences, Politekhnicheskaya ul. 26, St. Petersburg, 194021 Russia E. Z. Gusakov, Ioffe Physical Technical Institute, Russian Academy of Sciences, Politekhnicheskaya ul. 26, St. Petersburg, 194021 Russia A. N. Saveliev, Ioffe Physical Technical Institute, Russian Academy of Sciences, Politekhnicheskaya ul. 26, St. Petersburg, 194021 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 3

Description:    The connection of short-term neutron bursts near sea level with the electric and geomagnetic atmospheric fields during thunderstorms in 2009–2011 has been experimentally studied. The data from the cosmic-ray spectrograph named after Kuzmin, an electrostatic fluxmeter, and a three-component fluxgate magnetometer in Yakutsk have been analyzed. It has been shown that short-term (no longer than 4 min) neutron bursts are due to negative lightning discharges. The bursts are detected at the ground level 1–3 km below thunderstorm clouds. In this case, the neutron flux is about 4 × 10 −3 cm −2 s −1 . The minimum energy of the neutrons that are efficiently detected by the monitor is about 10 MeV. It has been found that short-term neutron bursts are detected when the electric field strength reaches a threshold value of −16 kV/m. Content Type Journal Article Category Miscellaneous Pages 188-191 DOI 10.1134/S0021364012150106 Authors S. A. Starodubtsev, Shafer Institute of Cosmophysical Research and Aeronomy, Siberian Branch, Russian Academy of Sciences, Yakutsk, 677980 Russia V. I. Kozlov, Shafer Institute of Cosmophysical Research and Aeronomy, Siberian Branch, Russian Academy of Sciences, Yakutsk, 677980 Russia A. A. Toropov, Shafer Institute of Cosmophysical Research and Aeronomy, Siberian Branch, Russian Academy of Sciences, Yakutsk, 677980 Russia V. A. Mullayarov, Shafer Institute of Cosmophysical Research and Aeronomy, Siberian Branch, Russian Academy of Sciences, Yakutsk, 677980 Russia V. G. Grigor’ev, Shafer Institute of Cosmophysical Research and Aeronomy, Siberian Branch, Russian Academy of Sciences, Yakutsk, 677980 Russia A. V. Moiseev, Shafer Institute of Cosmophysical Research and Aeronomy, Siberian Branch, Russian Academy of Sciences, Yakutsk, 677980 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 3

Description:    We have derived the so-called gap equation, which determines the upper critical magnetic field, perpendicular to conducting chains of a quasi-one-dimensional superconductor. By analyzing this equation at low temperatures, we have found that the calculated angular dependence of the upper critical magnetic field is qualitatively different than that in the so-called effective mass model. In particular, our theory predicts a non-analytical angular dependence of the upper critical magnetic field, H c 2 (0) − H c 2 (α) ∼ α 3/2 , when magnetic field is close to some special crystallographic axis and makes an angle α with it. We discuss possible experiments on the superconductor (DMET) 2 I 3 to discover this non-analytical dependence. Content Type Journal Article Category Condensed Matter Pages 176-180 DOI 10.1134/S0021364012150052 Authors A. G. Lebed, Department of Physics, University of Arizona, AZ 85721, Tucson, USA O. Sepper, Department of Physics, University of Arizona, AZ 85721, Tucson, USA Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 96 Journal Issue Volume 96, Number 3

Description:    The dynamic behavior of a two-sublattice spin-2 Ising model with a crystal-field interaction in the presence of a time-dependent oscillating external magnetic field on a hexagonal lattice is studied by using the Glauber-type stochastic dynamics. The lattice is formed by alternate layers of spins σ  = 2 and S  = 2. We employ the Glauber transition rates to construct the mean-field dynamic equations. First, we study the time variations of the average sublattice magnetizations to find the phases in the system, and the thermal behavior of the dynamic sublattice magnetizations to characterize the nature (continuous and discontinuous) of the phase transitions and to obtain the dynamic phase transition (DPT) points. Then, the behavior of the dynamic total magnetization as a function of the temperature is investigated to find the dynamic compensation temperatures as well as to determine the type of compensation behavior. We present the dynamic phase diagrams including the dynamic compensation temperatures in the nine different planes. Phase diagrams contain the paramagnetic ( p ), antiferromagnetic-1 ( a f 1 ), antiferromagnetic-2 ( a f 2 ) and ferrimagnetic ( i ) fundamental phases, five different mixed phases and the compensation temperature or the L -type behavior that strongly depend on the interaction parameters. Content Type Journal Article Category Regular Article Pages 1-10 DOI 10.1140/epjb/e2012-30607-y Authors Ü. Temizer, Department of Physics, Bozok University, 66200 Yozgat, Turkey T. Korkmaz, Institute of Science, Bozok University, 66200 Yozgat, Turkey Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    We investigate the electronic and magnetic properties of NiS 2 , which, by varying the chemical composition substituting S by Se atoms or applying pressure, can be driven across various electronic and magnetic phase transitions. By combining several theoretical methods, we highlight the different role played by the chalcogen dimers and the volume compression in determining the phase transitions, through variations of the chalcogen p bonding-antibonding gap, the crystal-field splitting and the broadening of the bandwidths. While the generalized gradient approximation (GGA) of density-functional theory fails to reproduce the insulating nature of NiS 2 , it describes well the magnetic boundaries of the phase diagram. The large GGA delocalization error is corrected to a large extent by the use of GGA + U, hybrid functionals or the self-consistent COHSEX + GW approximation. We also discuss the advantages and the shortcomings of the different approximations in the various regions of the phase diagram of this prototypical correlated compound. Content Type Journal Article Category Regular Article Pages 1-10 DOI 10.1140/epjb/e2012-30384-7 Authors Cosima Schuster, Institut für Physik, Universität Augsburg, D-86135 Augsburg, Germany Matteo Gatti, Nano-Bio Spectroscopy Group and ETSF Scientific Development Center, Dpto. Física de Materiales, Centro de Física de Materiales CSIC-UPV/EHU-MPC and DIPC, Universidad del País Vasco UPV/EHU, Avenida Tolosa 72, E-20018 San Sebastián, Spain Angel Rubio, Nano-Bio Spectroscopy Group and ETSF Scientific Development Center, Dpto. Física de Materiales, Centro de Física de Materiales CSIC-UPV/EHU-MPC and DIPC, Universidad del País Vasco UPV/EHU, Avenida Tolosa 72, E-20018 San Sebastián, Spain Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 9

Description:    Statistical physics has been applied in the last decades to several problems in mechanics, including fracture and plasticity. Concept drawn from percolation, fractal geometry, phase-transitions, and interface depinning have been used with varying degrees of success to understand these problems. In this colloquium, I describe recent successes and current challenging problems for statistical physics in fracture and plasticity, focusing on the roughness of cracks, fracture size effects and micron-scale plasticity. Content Type Journal Article Category Colloquium Pages 1-12 DOI 10.1140/epjb/e2012-30471-9 Authors S. Zapperi, CNR - Consiglio Nazionale delle Ricerche, IENI, Via R. Cozzi 53, 20125 Milano, Italy Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 9

Description:    We report key advances in the area of GW calculations, review the available software implementations and define standardization criteria to render the comparison between GW calculations from different codes meaningful, and identify future major challenges in the area of quasiparticle calculations. This Topical Issue should be a reference point for further developments in the field. Content Type Journal Article Category Editorial Pages 1-2 DOI 10.1140/epjb/e2012-30691-y Authors F. Giustino, Department of Materials, University of Oxford, OX1 3PH Oxford, UK P. Umari, Dipartimento di Fisica e Astronomia, Università degli studi di Padova, via Marzolo 8, 35131 Padova, Italy A. Rubio, Nano-Bio Spectroscopy Group and ETSF Scientific Development Center, Universidad del País Vasco, CFM CSIC-UPV/EHU-MPC and DIPC, Avenida Tolosa 72, 20018 Donostia, Spain Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 9

Description:    Density functional theory (DFT) combined with the non equilibrium Green’s function formalism (NEGF) is applied to perform spin polarized transport calculations on small world network (SWN) systems consisting of atomic wires. Including the spin property in SWN structures leads to interesting electrical properties. It is revealed that the emerging spin polarization depends mainly on the SWN geometry given by the asymmetric distribution of loops joining the arbitrary atoms on the main chain. The spin-asymmetric behavior which yields the spin polarization is found to be largely determined by those loops which are close to the electrodes. However, spin polarization may vanish for a specific SWN structure due to symmetry. Content Type Journal Article Category Regular Article Pages 1-8 DOI 10.1140/epjb/e2012-30253-5 Authors S. Caliskan, Physics Department, Fatih University, Buyukcekmece, 34500 Istanbul, Turkey M. Canturk, Department of Computer Engineering, Turgut Özal University, Ayvali Mah. Gazze. Cad. No: 7 Etlik- Keçiören, 06010 Ankara, Turkey Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 9

Description:    The electronic properties of three different oxides (ZnO, SnO 2 and SiO 2 ) are investigated within many-body perturbation theory in the G 0 W 0 approximation. The frequency dependence of the dielectric function is either approximated using two different well-established plasmon-pole models (one of which enforces the fulfillment of the f -sum rule) or treated explicitly by means of the contour-deformation approach. Comparing these results, it is found that the plasmon-pole model enforcing the f -sum rule gives less accurate results for all three oxides. The calculated electronic properties are also compared with the available experimental data and previous ab initio results, focusing on the d state binding energies. The G 0 W 0 approach leads to significantly improved band gaps with respect to calculations based on the density functional theory in the local density approximation. Content Type Journal Article Category Regular Article Pages 1-8 DOI 10.1140/epjb/e2012-30121-4 Authors A. Miglio, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium D. Waroquiers, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium G. Antonius, Département de physique, Université de Montréal, C.P. 6128, Succursale Centre-Ville, H3C 3J7 Montréal, Canada M. Giantomassi, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium M. Stankovski, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium M. Côté, Département de physique, Université de Montréal, C.P. 6128, Succursale Centre-Ville, H3C 3J7 Montréal, Canada X. Gonze, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium G. -M. Rignanese, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, bte L7.03.01, 1348 Louvain-la-Neuve, Belgium Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 9

Description:    Eigenstate bases are used to study electrical conductivity in graphene in the presence of short-range diagonal disorder and inter-valley scattering. For the first time, the behavior of graphene in a moderate and weak disorderd regime is presented. For disorder strength, W   /   t  ≥  5, the density of states is flat. A connection is then established with the work of Abrahams et al. using Microscopic Renormalization Group (MRG) approach. For disorder strength, W   /   t  = 5, results are in good agreement. For low disorder strength, W   /   t  = 2, energy-resolved current matrix elements squared for different locations of the Fermi energy from the band centre is studied. Explicit dependence of the current matrix elements on Fermi energy is shown. It is found that states close to the band centre are more extended and fall off nearly as 1/E l 2 as one moves away from the band centre. Further studies on current matrix elements versus disorder strength suggests a cross-over from weakly localized to a very weakly localized system. Using the Kubo-Greenwood formula, conductivity and mobility is calculated. For low disorder strength, conductivity is in a good qualitative agreement with the experiments, even for the on-site disorder. The intensity plots of the eigenstates also reveal clear signatures of puddle formation for very small carrier concentration. We also make comparision with square lattice and find that graphene is more easily localized when subject to disorder. Content Type Journal Article Category Regular Article Pages 1-10 DOI 10.1140/epjb/e2012-20885-8 Authors R. Ray, Department of Physics, Indian Institute of Technology Kanpur, 208016 Kanpur, India Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    In our tunneling investigation using Andreev superconductor-normal metal-superconductor contacts on LiFeAs single crystals we observed two reproducible independent subharmonic gap structures at dynamic conductance characteristics. From these results, we can derive the energy of the large superconducting gap Δ L = (2.5–3.4) meV and the small gap Δ S = (0.9–1) meV at T = 4.2 K for the T C local ≈ (10.5–14) K (the contact area critical temperature which deviation causes the variation of Δ L ). The BCS-ratio is found to be 2Δ L / k B T C = 4.6–5.6, whereas 2Δ S / k B T C ≪ 3.52 results from induced superconductivity in the bands with the small gap. Content Type Journal Article Category Condensed Matter Pages 537-543 DOI 10.1134/S0021364012100086 Authors S. A. Kuzmichev, Moscow State University, Moscow, 119991 Russia T. E. Shanygina, Moscow State University, Moscow, 119991 Russia I. V. Morozov, Moscow State University, Moscow, 119991 Russia A. I. Boltalin, Moscow State University, Moscow, 119991 Russia M. V. Roslova, Moscow State University, Moscow, 119991 Russia S. Wurmehl, IFW-Dresden, Institute for Solid State Research, D-01171 Dresden, Germany B. Büchner, IFW-Dresden, Institute for Solid State Research, D-01171 Dresden, Germany Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 95 Journal Issue Volume 95, Number 10

Description:    Jaynesian statistical inference is used to predict that steady, non-uniform Couette flow in a simple liquid will generate a heat flux proportional to the gradient of the square of the strain-rate when the temperature gradient is negligible. The heat flux is divided into phonon and self-diffusion components, with the latter coupling to the elastic strain and inelastic strain-rate. Operators for all these are substituted into the information-theoretic phase-space distribution. By taking moments of an exact equation for this distribution derived by Robertson, one obtains an evolution equation for the self-diffusion component of the heat flux which, in a steady state, predicts shear-driven heat flow. Content Type Journal Article Pages 287-292 DOI 10.1007/BF03219170 Authors R. E. Nettleton, Department of Physics, University of the Witwatersrand, Johannesburg, 2050 South Africa Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 2

Description:    Many experiments done on neutral lipid bilayers in pure water show weak repulsions. These weak forces prevent vesicles from adhering and are generally overcome by adding some salt in the aqueous medium. They also appear as stray repulsions in surface forces measurements made on lipid bilayers. Using a surface forces apparatus in pure water and in salt solution, we have measured the forces between two stearoyl-oleoyl-phosphatidyl-choline (SOPC) bilayers and between two dimiristoyl-phosphatidyl-ethanolamine (DMPE) bilayers. The results show that the repulsions are due to a small amount of negative charges coming from impurities in SOPC. This was quantitatively confirmed by electrophoretic measurements. There are 3 times less charges in the case of DMPE layers. The effect of these charges which is negligible at high salt concentration may significantly affect the adhesion energy and behaviour of neutral lipid bilayers between 0 and ≈ 40 salt. Content Type Journal Article Pages 127-130 DOI 10.1007/BF03219162 Authors F. Pincet, Laboratoire de Physique Statistique de l’École Normale Supérieure, 24 rue Lhomond, 75231 Paris Cedex 05, France S. Cribier, Laboratoire de Physico-Chimie Moléculaire des Membranes Biologiques, Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, 75005 Paris, France E. Perez, Laboratoire de Physique Statistique de l’École Normale Supérieure, 24 rue Lhomond, 75231 Paris Cedex 05, France Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 1

Description:    Conservation equations are written for surface flows (either fluid or granular). The particularity of granular surface flows is then pointed out, namely that the depth of the flowing layer is not a priori fixed, leading to open equations. It is shown how some hypothesis on the flowing layer allows to close the system of equations. A possible hypothesis, similar to that made for a fluid layer, but inspired from granular flow experiments, is presented. The force acting on the flowing layer is discussed. Averaging over the flowing depth, as in shallow water theory, then allows to transform these conservation laws into equations for the evolution of the profile of a granular pile. Apart from their interest for building models, these conservation laws can be used to measure experimentally the effective forces acting on a flowing layer. Content Type Journal Article Pages 131-142 DOI 10.1007/BF03219163 Authors S. Douady, L.P.S./E.N.S., 25 rue Lhomond, 75242 Paris Cedex 05, France B. Andreotti, L.P.S./E.N.S., 25 rue Lhomond, 75242 Paris Cedex 05, France A. Daerr, L.P.S./E.N.S., 25 rue Lhomond, 75242 Paris Cedex 05, France Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 1

Description:    Multifractal critical phenomena with infinite-temperature critical point and with complex coexistence of the infinite and finite temperature critical points are considered and it is shown that strange attractors generated by cascades of period-doubling bifurcations (Feigenbaum scenario) as well as fields of velocity differences in fluid turbulence belong to the former subclass of the multifractal critical phenomena, while the real traffic processes and real currency exchange processes belong to the last (complex) subclass of the multifractal critical phenomena. Data obtained by different authors are used for this purpose. Content Type Journal Article Pages 361-364 DOI 10.1007/BF03219174 Authors A. Bershadskii, Ramat-Aviv, P.O. Box 39953, 61398 Tel-Aviv, Israel Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 2

Description:    The spin magnetic susceptibility of the p-d model is calculated by means of a perturbation theory in the hybridization term V through a generalized cumulant expansion (GCE). The analysis is approached from the paramagnetic metallic phase. The results qualitatively reproduce some unusual magnetic properties in the normal state of the hole-doped cuprates, supporting the scenario of a Van Hove singularity near the Fermi level. Content Type Journal Article Pages 235-242 DOI 10.1007/BF03219167 Authors R. Citro, Dipartimento di Scienze Fisiche “E.R. Caianiello”, Università di Salerno, 84081 Baronissi (Salerno), Italy M. Marinaro, Dipartimento di Scienze Fisiche “E.R. Caianiello”, Università di Salerno, 84081 Baronissi (Salerno), Italy Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 2

Description:    A phenomenological Landau elasticity for the shape, dilation, and lipid-tilt of bilayer membranes is developed. The shape mode couples with the sum of the monolayers’ tilt, while the dilation mode couples with the difference of the monolayers’ tilts. Interactions among membrane inclusions within regular arrays are discussed. Inclusions modifying the membrane thickness and/or inducing a tilt-difference due to their convex or concave shape yield a dilation-induced attraction and a tilt-difference-induced repulsion. The resulting interaction can stabilize 2 D crystal phases, with the possible coexistence of different lattice spacings when the dilation-tilt-difference coupling is large. Inclusions favoring crystals are those with either a long-convex or a short-concave hydrophobic core. Inclusions inducing a local membrane curvature due to their conical shape repel one another. At short inclusions separations, a tilt comparable with the inclusion’s cone angle develops: it relaxes the membrane curvature and reduces the repulsion. At large separations the tilt vanishes, whatever the value of the shape-tilt coupling. Content Type Journal Article Pages 261-272 DOI 10.1007/BF03219168 Authors J. -B. Fournier, Laboratoire de Physico-Chimie Théorique, ESPCI, 10 rue Vauquelin, 75231 Paris Cedex 05, France Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 2

Description:    Dissipative one-dimensional maps may exhibit special points ( e.g. , chaos threshold) at which the Lyapunov exponent vanishes. Consistently, the sensitivity to the initial conditions has a power-law time dependence, instead of the usual exponential one. The associated exponent can be identified with 1/(1 Ȣ q ), where q characterizes the nonextensivity of a generalized entropic form currently used to extend standard, Boltzmann-Gibbs statistical mechanics in order to cover a variety of anomalous situations. It has been recently proposed (Lyra and Tsallis, Phys. Rev. Lett. 80 , 53 (1998)) for such maps the scaling law 1/(1 − q ) = 1/ α min − 1/ α max , where α min and α max are the extreme values appearing in the multifractal f ( α ) function. We generalize herein the usual circular map by considering inflexions of arbitrary power z , and verify that the scaling law holds for a large range of z . Since, for this family of maps, the Hausdorff dimension d f equals unity for all z in contrast with q which does depend on z , it becomes clear that d f plays no major role in the sensitivity to the initial conditions. Content Type Journal Article Pages 309-315 DOI 10.1007/BF03219171 Authors U. Tırnaklı, Department of Physics, Faculty of Science, Ege University, 35100 Izmir, Turkey C. Tsallis, Centro Brasileiro de Pesquisas Fisicas, Rua Xavier Sigaud 150, 22290-180 Rio de Janeiro - RJ, Brazil M. L. Lyra, Departamento de Fisica, Universidade Federal de Alagoas, 57072-970 Maceio-AL, Brazil Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 2

Description:    We study the influence of an aperiodic extended surface perturbation on the surface critical behaviour of the two-dimensional Ising model in the extreme anisotropic limit. The perturbation decays as a power κ of the distance l from the free surface with an oscillating amplitude where f l = 0, 1 follows some aperiodic sequence with an asymptotic density equal to 1/2 so that the mean amplitude vanishes. The relevance of the perturbation is discussed by combining scaling arguments of Cordery and Burkhardt for the Hilhorst-van Leeuwen model and Luck for aperiodic perturbations. The relevance-irrelevance criterion involves the decay exponent κ , the wandering exponent ω which governs the fluctuation of the sequence and the bulk correlation length exponent ν . Analytical results are obtained for the surface magnetization which displays a rich variety of critical behaviours in the ( κ, ω )-plane. The results are checked through a numerical finite-size-scaling study. They show that second-order effects must be taken into account in the discussion of the relevance-irrelevance criterion. The scaling behaviours of the first gap and the surface energy are also discussed. Content Type Journal Article Pages 273-285 DOI 10.1007/BF03219169 Authors L. Turban, Laboratoire de Physique des Matériaux, Université Henri Poincaré, BP 239, 54506 Vandœuvre lès Nancy Cedex, France Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 11 Journal Issue Volume 11, Number 2

Description:    Previous experimental and theoretical studies suggest that first-spike latency is an efficient information carrier and may contain more amounts of neural information than those of other spikes. Therefore, the biophysical mechanisms underlying the first-spike response latency are of considerable interest. Here we present a systematical investigation on the response latency dynamics of a single Hodgkin-Huxley neuron subject to both a suprathreshold periodic forcing and background activity. In contrast to most earlier works, we consider a biophysically realistic noise model which allows us to relate the synaptic background activity to unreliable synapses and latency. Our results show that first-spike latency of a neuron can be regulated via unreliable synapses. An intermediate level of successful synaptic transmission probability significantly increases both the latency and its jitter, indicating that the unreliable synaptic transmission constrains the signal detection ability of neurons. Furthermore, we demonstrate that the destructive influence of synaptic unreliability can be controlled by the input regime and by the excitatory coupling strength. Better tuning of these two factors could help the H-H neuron encode information more accurately in terms of the first-spike latency. Content Type Journal Article Category Regular Article Pages 1-8 DOI 10.1140/epjb/e2012-30282-0 Authors M. Uzuntarla, Engineering Faculty, Department of Biomedical Engineering, Bulent Ecevit University, 67100 Zonguldak, Turkey M. Ozer, Engineering Faculty, Department of Electrical-Electronics Engineering, Bulent Ecevit University, 67100 Zonguldak, Turkey D. Q. Guo, Key Laboratory for NeuroInformation of Ministry of Education, School of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu, 610054 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 8

Description:    The effects of random distribution of magnetic impurities with concentration x in a semiconductor alloy multilayer at a paramagnetic temperature are investigated by means of coherent potential approximation and tight-binding model. The change in the electronic states and the optical absorption spectrum with x is calculated for weak and strong exchange interactions between carrier spins and localized spin moments on magnetic ions. We find that the density of states and optical absorption are strongly layer-dependent due to the quantum size effects. The electronic and optical spectra are broadened due to the spin fluctuations of magnetic ions and in the case of strong exchange interaction, an energy gap appears in both spectra. Furthermore, the interior layers show higher contribution in the optical absorption of the system. The results can be helpful for magneto-optical devices at a paramagnetic temperature. Content Type Journal Article Category Regular Article Pages 1-7 DOI 10.1140/epjb/e2012-30354-1 Authors L. Gharaee, Department of Physics, Payame Noor University, P.O. Box 19395-3697, Tehran, Iran A. Saffarzadeh, Department of Physics, Payame Noor University, P.O. Box 19395-3697, Tehran, Iran Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 8

Description:    We investigate magneto-transport properties of a θ shaped three-arm mesoscopic ring where the upper and lower sub-rings are threaded by Aharonov-Bohm fluxes φ 1 and φ 2 , respectively, within a non-interacting electron picture. A discrete lattice model is used to describe the quantum network in which two outer arms are subjected to binary alloy lattices while the middle arm contains identical atomic sites. It is observed that the presence of the middle arm provides localized states within the band of extended regions and lead to the possibility of switching action from a high conducting state to a low conducting one and vice versa. This behavior is justified by studying persistent current in the network. Both the total current and individual currents in three separate branches are computed by using second-quantized formalism and our idea can be utilized to study magnetic response in any complicated quantum network. The nature of localized eigenstates are also investigated from probability amplitudes at different sites of the quantum device. Content Type Journal Article Category Regular Article Pages 1-7 DOI 10.1140/epjb/e2012-30163-6 Authors Srilekha Saha, Theoretical Condensed Matter Physics Division, Saha Institute of Nuclear Physics, Sector-I, Block-AF, Bidhannagar, 700064 Kolkata, India Santanu K. Maiti, School of Chemistry, Tel Aviv University, Ramat-Aviv, 69978 Tel Aviv, Israel S. N. Karmakar, Theoretical Condensed Matter Physics Division, Saha Institute of Nuclear Physics, Sector-I, Block-AF, Bidhannagar, 700064 Kolkata, India Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 8

Description:    It has been shown that counterpropagating electromagnetic waves with different frequencies generate two lattices in a cubically nonlinear medium, one of which moves at a superluminal velocity. When weak radiation reflects from the superluminal lattice, the wavefront is quasi-conjugated with distortions owing to the Doppler frequency shift. These effects occur both in insulators with fast nonlinearity and in an electron-positron vacuum. Content Type Journal Article Category Optics and Laser Physics Pages 609-612 DOI 10.1134/S0021364012120132 Authors N. N. Rosanov, Vavilov State Optical Institute, Birzhevaya liniya 12, St. Petersburg, 199034 Russia Journal JETP Letters Online ISSN 1090-6487 Print ISSN 0021-3640 Journal Volume Volume 95 Journal Issue Volume 95, Number 12

Description:    Based on the transfer-matrix method, the spin transport properties through a graphene-based multi-barrier nanostructure with an exchange field and Rashba spin orbit coupling (SOC), have been investigated. It is found that if Rashba SOC equals to the exchange field, the multi-barrier nanostructure is an efficient way to achieve spin rotators and spin filters. In addition, it is also found that the shot noise of a spin state can be enhanced by electrostatic potential, and plateaus of the Fano factor is formed. Content Type Journal Article Category Regular Article Pages 1-6 DOI 10.1140/epjb/e2012-30245-5 Authors Q.P. Wu, School of materials science and engineering, Nanchang University, Nanchang, 330031 P.R. China X.D. He, School of Measuring and Optical Engineering, Nanchang Hangkong University, Nanchang, 330063 P.R. China Z.F. Liu, School of materials science and engineering, Nanchang University, Nanchang, 330031 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description: .   Using the formalism of the biased random walk in random uncorrelated networks with arbitrary degree distributions, we develop theoretical approach to the critical packet generation rate in traffic based on routing strategy with local information. We explain microscopic origins of the transition from the flow to the jammed phase and discuss how the node neighbourhood topology affects the transport capacity in uncorrelated and correlated networks. Content Type Journal Article Category Regular Article Pages 1-6 DOI 10.1140/epjb/e2012-30062-x Authors P. Fronczak, Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw, Poland Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 10

Description:    We study strain-controlled magnetization-reorientation processes in nickel thin film/piezoelectric actuator hybrid structures. To obtain a consistent picture of the connection between magnetic microstructure and magnetoresistance, we correlate simultaneously measured spatially resolved magneto-optical Kerr effect imaging and integral magnetotransport measurements at room temperature. Our results show that the magnetization predominantly reorients by coherent rotation as a function of the voltage applied to the hybrid, except for a narrow region around the coercive field for which the magnetization reorientation evolves via domain effects. This demonstrates that both magnetic-field and strain-driven magnetization reversal can be modeled in terms of a macrospin model. Content Type Journal Article Category Regular Article Pages 1-8 DOI 10.1140/epjb/e2012-20675-4 Authors A. Brandlmaier, Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching, Germany M. Brasse, Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching, Germany S. Geprägs, Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching, Germany M. Weiler, Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching, Germany R. Gross, Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching, Germany S. T. B. Goennenwein, Walther-Meißner-Institut, Bayerische Akademie der Wissenschaften, 85748 Garching, Germany Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 4

Description:    Previous studies have shown that in the Bose-Einstein condensation (BEC), temperature is a key factor, i.e., the lower the temperature is, the easier to observe particle condensation. While in recent studies of particle condensation on complex networks, temperature is not involved. We here propose a model of networked traps with distributed potential depths to include the temperature into particle diffusion. Through three typical potential forms, we find that the particle distribution in equilibrium satisfies a super-linear relationship with the node degree k i . Specifically, it will become a power law when the potential energy E i takes the form E i = ln k i . Furthermore, we surprisingly reveal that there is an optimal temperature T o k for the accumulation/condensation of particles at each group of nodes with the same degree k and T o k increases with k until T o hub of the hub, in contrast to the monotonous relationship between temperature and condensation in BEC. The optimal T o k comes from the competition between the trapping from attractive interaction among particles and the fluctuation controlled by temperature. Numerical simulations have completely confirmed the theoretical predictions. Content Type Journal Article Category Regular Article Pages 1-6 DOI 10.1140/epjb/e2012-20794-x Authors L. Liu, Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai, 200062 P.R. China Z. H. Liu, Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai, 200062 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    The local spin polarisation (LSP) of electrons in two typical semiconductor nanowires under the modulation of Rashba spin-orbit interaction (SOI) is investigated theoretically. The influence of both the SOI- and structure-induced bound states on the LSP is taken into account via the spin-resolved lattice Green function method. It is discovered that high spin-density islands with alternative signs of polarisation are formed inside the nanowires due to the interaction between the bound states and the Rashba effective magnetic field. Further study shows that the spin-density islands caused by the structure-induced bound state exhibit a strong robustness against disorder. These findings may provide an efficient way to create local magnetic moments and store information in semiconductors. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-20849-0 Authors X. B. Xiao, School of Computer, Jiangxi University of Traditional Chinese Medicine, Nanchang, 330004 P.R. China F. Li, School of Computer, Jiangxi University of Traditional Chinese Medicine, Nanchang, 330004 P.R. China Y. G. Chen, Department of Physics, Tongji University, Shanghai, 200092 P.R. China N. H. Liu, Institute for Advanced Study, Nanchang University, Nanchang, 330031 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    Spin tunneling in molecular magnets controlled by dipole-dipole interactions (DDI) in the disordered state has been considered numerically on the basis of the microscopic model using the quantum mean-field approximation. In the actual case of a strong DDI, coherence of spin tunneling is completely lost and there is a slow relaxation of magnetization, described by t 3/4 at short times. Fast precessing nuclear spins, included in the model microscopically, only moderately speed up the relaxation. Content Type Journal Article Category Regular Article Pages 1-10 DOI 10.1140/epjb/e2012-20835-6 Authors D. A. Garanin, Department of Physics and Astronomy, Lehman College, City University of New York, 250, Bedford Park Boulevard West, Bronx, 10468 New York, USA Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    Recent Monte Carlo simulations on the Kern and Frenkel model of a Janus fluid have revealed that in the vapour phase there is the formation of preferred clusters made up of a well-defined number of particles: the micelles and the vesicles. A cluster theory is developed to approximate the exact clustering properties stemming from the simulations. It is shown that the theory is able to reproduce the micellisation phenomenon. Content Type Journal Article Category Regular Article Pages 1-12 DOI 10.1140/epjb/e2012-20820-1 Authors R. Fantoni, National Institute for Theoretical Physics (NITheP) and Institute of Theoretical Physics, Stellenbosch University, 7600 Stellenbosch, South Africa Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    We study a disordered nonlinear Schrödinger equation with an additional relaxation process having a finite response time τ . Without the relaxation term, τ = 0, this model has been widely studied in the past and numerical simulations showed subdiffusive spreading of initially localized excitations. However, recently Caetano et al. [Eur. Phys. J. B 80 , 321 (2011)] found that by introducing a response time τ 〉 0, spreading is suppressed and any initially localized excitation will remain localized. Here, we explain the lack of subdiffusive spreading for τ 〉 0 by numerically analyzing the energy evolution. We find that in the presence of a relaxation process the energy drifts towards the band edge, which enforces the population of fewer and fewer localized modes and hence leads to re-localization. The explanation presented here relies on former findings by Mulansky et al. [Phys. Rev. E 80 , 056212 (2009)] on the energy dependence of thermalized states. Content Type Journal Article Category Regular Article Pages 1-3 DOI 10.1140/epjb/e2012-21040-5 Authors M. Mulansky, Department of Physics and Astronomy, Potsdam University, 14476 Potsdam, Germany A. S. Pikovsky, Department of Physics and Astronomy, Potsdam University, 14476 Potsdam, Germany Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    We study the equilibration of an initial surface of conic shape that consists of concentric circular monolayers by Kinetic Monte Carlo (KMC) method. The kinetic processes of attachment and/or detachment of particles to/from steps, diffusion of particles on the surface, along a step or cluster edges are considered. The difference between an up hill and down hill motion of a particle at a step are taken into account through the Ehrlich-Schwoebel (ES) barrier. The height of the cone evolves as h (0) −  h ( t ) ~  t 1/ α where h (0) is the initial height of the surface and α is approximately 2. The ES barrier slows down the equilibration of the surface but the time dependence remains as given above. The exponent α depends neither on ES barrier nor on the temperature. The equilibration is found also to be independent of energy barrier to the motion of particles along the step edges. The number of particles in each layer except the top two circular layers is found to decrease as t 0.57 . Content Type Journal Article Category Regular Article Pages 1-6 DOI 10.1140/epjb/e2012-20790-2 Authors M. Esen, Department of Physics, Faculty of Arts and Sciences, Cukurova University, 01330 Adana, Turkey A. T. Tüzemen, Department of Science and Mathematics Education in Secondary Schools, Faculty of Education, Cumhuriyet University, 58140 Sivas, Turkey M. Ozdemir, Department of Physics, Faculty of Arts and Sciences, Cukurova University, 01330 Adana, Turkey Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 4

Description:    The 4 × 4 transfer matrix for the magneto-optical layer at oblique incidence is derived. With the help of the transfer matrix, the magneto-optical properties of one-dimensional conjugated magnetophotonic crystals (MPC) heterojunctions are studied. The results show that there exists a Tamm state localized at the interface between conjugated MPC. By coupling the Tamm states, high transmittance and large Faraday rotation angle can be obtained simultaneously in conjugated MPC multiple heterojunctions structure. It can be used to make novel mageto-optical device, promised to further application in optical information process. Content Type Journal Article Category Regular Article Pages 1-7 DOI 10.1140/epjb/e2012-20770-6 Authors C. P. Yin, Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou, 510006 P.R. China T. B. Wang, State Key Laboratory of Optoelectronic Materials and Technologies, Zhongshan (Sun Yat-Sen) University, Guangzhou, 510275 P.R. China H. Z. Wang, State Key Laboratory of Optoelectronic Materials and Technologies, Zhongshan (Sun Yat-Sen) University, Guangzhou, 510275 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    The results of powder neutron diffraction, X-ray resonant and non-resonant scattering in Tb 0.95 Bi 0.05 MnO 3 demonstrate that substitution of Bi for Tb leads to partial suppression of intrinsic long-range magnetic order in the Tb sub-lattice, which transforms to correlated short-range order. The magnetic order in the Mn sub-lattice remains similar to that of TbMnO 3 . In the Bi-substituted sample an anomaly in the temperature dependencies of the unit cell parameters was detected at about 100 K. Content Type Journal Article Category Regular Article Pages 1-6 DOI 10.1140/epjb/e2012-20693-2 Authors I. V. Golosovsky, St. Petersburg Nuclear Physics Institute, 188300 Gatchina, St. Petersburg, Russia A. A. Mukhin, General Physics Institute RAS, 119991 Moscow, Russia V. Yu. Ivanov, General Physics Institute RAS, 119991 Moscow, Russia S. B. Vakhrushev, A.F. Ioffe Physico-Technical Institute RAS, 194021 St. Petersburg, Russia E. I. Golovenchits, A.F. Ioffe Physico-Technical Institute RAS, 194021 St. Petersburg, Russia V. A. Sanina, A.F. Ioffe Physico-Technical Institute RAS, 194021 St. Petersburg, Russia J. -U. Hoffmann, Helmholtz-Zentrum Berlin fur Materialien und Energie, Glienicker Str. 100, 14109 Berlin, Germany R. Feyerherm, Helmholtz-Zentrum Berlin fur Materialien und Energie, Glienicker Str. 100, 14109 Berlin, Germany E. Dudzik, Helmholtz-Zentrum Berlin fur Materialien und Energie, Glienicker Str. 100, 14109 Berlin, Germany Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    This paper reviews the transition path theory (TPT) for activated events and summarizes a set of methods and algorithms to compute all relevant quantities of this theory: free energy, rate and mechanism of the event. We provide a set of examples to illustrate the applicability of the methods to problems in chemistry, biophysics and material science. Content Type Journal Article Category Colloquium Pages 1-19 DOI 10.1140/epjb/e2012-20366-2 Authors S. Bonella, Dipartimento di Fisica and CNISM, Università La Sapienza, P.le A. Moro 2, 00185 Rome, Italy S. Meloni, School of Physics, Room 302 EMSC-UCD, University College Dublin, Belfield, 4 Dublin, Ireland G. Ciccotti, Dipartimento di Fisica and CNISM, Università La Sapienza, P.le A. Moro 2, 00185 Rome, Italy Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    In a complex network, different groups of nodes may have existed for different amounts of time. To detect the evolutionary history of a network is of great importance. We present a spectral-analysis based method to address this fundamental question in network science. In particular, we find that there are complex networks in the real-world for which there is a positive correlation between the eigenvalue magnitude and node age. In situations where the network topology is unknown but short time series measured from nodes are available, we suggest to uncover the network topology at the present (or any given time of interest) by using compressive sensing and then perform the spectral analysis. Knowledge of ages of various groups of nodes can provide significant insights into the evolutionary process underpinning the network. It should be noted, however, that at the present the applicability of our method is limited to the networks for which information about the node age has been encoded gradually in the eigen-properties through evolution. Content Type Journal Article Category Regular Article Pages 1-6 DOI 10.1140/epjb/e2012-21019-2 Authors G. -M. Zhu, NUS Graduate School for Integrative Sciences and Engineering, 117456 Singapore, Republic of Singapore H. J. Yang, Department of Physics and Center for Computational Science and Engineering, National University of Singapore, 117546 Singapore, Singapore R. Yang, School of Electrical, Computer, and Energy Engineering, Arizona State University, 85287, Tempe, AZ, USA J. Ren, NUS Graduate School for Integrative Sciences and Engineering, 117456 Singapore, Republic of Singapore B. Li, NUS Graduate School for Integrative Sciences and Engineering, 117456 Singapore, Republic of Singapore Y. -C. Lai, Department of Physics and Center for Computational Science and Engineering, National University of Singapore, 117546 Singapore, Singapore Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    In this paper, we intend to study the effect of variable mass on the binding energy. In this regard, we apply an analytic expression for position-dependent effective mass in a cubic quantum dot. Then, we obtain the binding energies of a shallow donor in the quantum dot of GaAs/Al x Ga 1− x As using a variational procedure within the effective mass approximation. Calculations are presented with a constant effective mass and position-dependent effective mass. It is found that (i) the binding energy decreases as the dot length increases in both the cases of constant and variable masses, (ii) an increase of binding energy is observed when the spatially varying mass is included, and (v) the binding energy shows complicated behavior when the position-dependent mass is included for the small dot size L  ≤ 130 Å. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-20435-6 Authors R. Khordad, Department of Physics, College of Sciences, Yasouj University, 75914-353 Yasouj, Iran Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 4

Description:    We study numerically the spreading of an initially localized wave packet in a one-dimensional uncorrelated disordered chain with a nonadiabatic electron-phonon interaction. The nonadiabatic electron-phonon coupling is taken into account in the time-dependent Schrödinger equation by a delayed cubic nonlinearity. In the adiabatic regime, Anderson localization is destroyed and a subdiffusive spreading of wave packet takes place by moderate nonlinearity. In the nonadiabatic regime, the dynamical behavior becomes obviously different. We find that short delay time suppresses delocalization strongly. However, large delay time gives a stronger exponent of spreading. An explanation of this delay induced effect is also discussed. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-20864-1 Authors Z. J. Zhang, Department of Physics and Institute of Theoretical Physics, Nanjing Normal University, Nanjing, 210046 P.R. China W. J. Li, Department of Physics and Institute of Theoretical Physics, Nanjing Normal University, Nanjing, 210046 P.R. China P. Q. Tong, Department of Physics and Institute of Theoretical Physics, Nanjing Normal University, Nanjing, 210046 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    A study of the likelihood of quantum breathers in a quantum Heisenberg spin system including a Dzyaloshinsky-Moriya interaction (DMI) is done through an extended Bose-Hubbard model while using the scheme of few body physics. The energy spectrum of the resulting Bose-Hubbard Hamiltonian, on a periodic one-dimensional lattice containing more than two quanta shows interesting detailed band structures. From a non degenerate, and a degenerate perturbation theory in addition to a numerical diagonalization, a careful investigation of these fine structures is set up. The attention is focussed on the effects of various interactions that are; the DMI, the Heisenberg in-plane ( X , Y ) as well as the out of plane exchange interaction on the energy spectrum of such a system. The outcome displays a possibility of an energy self-compensation in the system. We also computed the weight function of the eigenstates in direct space and in the space of normal modes. From a perturbation theory it is shown that the interaction between the quanta leads to an algebraic localization of the modified extended states in the normal-mode space of the non-interacting system that are coined quantum q-breathers excitations. Content Type Journal Article Category Regular Article Pages 1-15 DOI 10.1140/epjb/e2012-20707-1 Authors Z. I. Djoufack, Nonlinear Physics and Complex Systems Group, Département de Physique, École Normale Supérieure, Universitéde Yaoundé I, B.P. 47, Yaoundé, Cameroon A. Kenfack-Jiotsa, Nonlinear Physics and Complex Systems Group, Département de Physique, École Normale Supérieure, Universitéde Yaoundé I, B.P. 47, Yaoundé, Cameroon J. P. Nguenang, A.S. International Centre for Theoretical Physics, Strada Costiera 11, Trieste, Italy Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    Topological properties of a periodic condensed matter system are global features of its Brillouin zone (BZ). In contrast, the validity of effective low energy theories is usually limited to the vicinity of a high symmetry point in the BZ. We derive a general criterion under which the control parameter of a topological phase transition localizes the topological defect in an arbitrarily small neighbourhood of a single point in k -space upon approaching its critical value. Such a local phase transition is associated with a Dirac-like gap closing point, whereas a flat band transition is not localized in k -space. This mechanism and its limitations are illustrated with the help of experimentally relevant examples such as HgTe/CdTe quantum wells and bilayer graphene nanostructures. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-21057-8 Authors J. C. Budich, Institute for Theoretical Physics and Astrophysics, University of Würzburg, 97074 Würzburg, Germany B. Trauzettel, Institute for Theoretical Physics and Astrophysics, University of Würzburg, 97074 Würzburg, Germany Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    We study systems of a few charged bosons contained within a strongly anisotropic harmonic trap. A detailed examination of the ground-state correlation properties of two-, three-, and four-particle systems is carried out within the framework of the single-mode approximation of the transverse components. The linear correlation entropy of the quasi-1D systems is discussed in dependence on the confinement anisotropy and compared with a strictly 1D limit. Only at weak interaction the correlation properties depend strongly on the anisotropy parameter. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-20964-x Authors P. Kościk, Institute of Physics, Jan Kochanowski University, ul. Świętokrzyska 15, 25-406 Kielce, Poland A. Okopińska, Institute of Physics, Jan Kochanowski University, ul. Świętokrzyska 15, 25-406 Kielce, Poland Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    The effect of Dresselhauss spin-orbit coupling on transport and thermodynamic properties of a non-interacting two-dimensional electron gas (2DEG) is investigated. The Hamiltonian used also includes a tilted magnetic field and a Rashba spin-orbit interaction. The Dresselhauss spin-orbit interaction, likewise the Rashba spin-orbit interaction, introduces a beating pattern in the conductivity tensor and in the magnetization along the field direction. A method to estimate the contribution of the Rashba and Dresselhauss interactions to the beating pattern is given using the periodicity of the beating patterns. Content Type Journal Article Category Regular Article Pages 1-9 DOI 10.1140/epjb/e2012-20649-6 Authors T. F. A. Alves, Departamento de Física, Universidade Federal do Piauí, Campus Ministro Petrônio Portela, 64049-550 Teresina, Piauí, Brasil A. C. A. Ramos, Universidade Federal do Ceará, Campus do Cariri, 63030-200 Juazeiro do Norte, Ceará, Brasil G. A. Farias, Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, Campus do Pici, 60455-760 Fortaleza, Ceará, Brasil R. N. Costa Filho, Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, Campus do Pici, 60455-760 Fortaleza, Ceará, Brasil N. S. Almeida, Departamento de Física, Universidade do Estado do Rio Grande do Norte, 50610-210 Mossoró, Rio Grande do Norte, Brasil Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    In the present work, we have investigated tunneling dynamics of superfluid Fermi gas in a double-well potential in deep BEC regime and in the unitarity regime by adjusting the scattering length or the interaction parameter y . The scattering length a sc or y could affect the quantum transition dramatically. At certain regime, the complete population transfer between two modes can be obtained. However, at some other regimes, the quantum transition can be completely blocked. Content Type Journal Article Category Regular Article Pages 1-7 DOI 10.1140/epjb/e2012-20941-5 Authors Y. Ma, College of Physics and Electronic, Engineering and Joint Laboratory of Atomic and Molecular Physics of NWNU & IMP CAS, Northwest Normal University, Lanzhou, 730070 P.R. China C. L. Wang, College of Physics and Electronic, Engineering and Joint Laboratory of Atomic and Molecular Physics of NWNU & IMP CAS, Northwest Normal University, Lanzhou, 730070 P.R. China W. S. Duan, College of Physics and Electronic, Engineering and Joint Laboratory of Atomic and Molecular Physics of NWNU & IMP CAS, Northwest Normal University, Lanzhou, 730070 P.R. China J. A. Sun, College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou, 730070 P.R. China L. Yang, College of Physics and Electronic, Engineering and Joint Laboratory of Atomic and Molecular Physics of NWNU & IMP CAS, Northwest Normal University, Lanzhou, 730070 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 2

Description:    We numerically study traffic flow, energy dissipation and social payoff in the Nagel-Schreckenberg model with a non-signalized intersection. In terms of game theory, we analyze dilemma game observed in some traffic states. There are four traffic phases: free-flow phase, phase-segregated 1, phase-segregated 2 and jammed phase in the case of v max 〉 1. In phase-segregated 1, maximum traffic flow corresponds to minimal energy dissipation. Dilemma game is observed at the phase-segregated 1 in the case of v max 〉 1, and phase segregation state when v max = 1. Theoretical analyses give an agreement with numerical results. Content Type Journal Article Category Regular Article Pages 1-8 DOI 10.1140/epjb/e2012-20904-x Authors W. Zhang, Department of Physics, Fudan University, Shanghai, 200433 P.R. China W. Zhang, Department of Physics and Siyuan Laboratory, Jinan University, Guangzhou, 510632 P.R. China W. Chen, Department of Physics, Fudan University, Shanghai, 200433 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 2

Description:    We study a selection of Cu-containing magnetic quadruple perovskites (CaCu 3 Ti 4 O 12 LaCu 3 Fe 4 O 12 , and YCu 3 Co 4 O 12 ) by ab initio calculations, and show that Cu is in an effective divalent Cu(II)-like state or a trivalent Cu(III) state depending on the choice of octahedral cation. Based on the electronic structure, we also discuss the role of Mott and Zhang-Rice physics in this materials class. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-21067-6 Authors P. Alippi, CNR-ISM, Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Via Salaria km 29.5 CP 10, 00016 Monterotondo Stazione, Italy Vincenzo Fiorentini, Dipartimento di Fisica, Università di Cagliari and CNR-IOM, UOS Cagliari, Cittadella Universitaria, 09042 Monserrato, CA, Italy Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 2

Description:    The core width and Peierls barrier and stress for Shockley partials in InP have been investigated using the improved P-N theory. The core width of 90° partial is about 1.6 times wider than that of 30° partial, and both of them are very narrow: core width ξ  〈 0.5 b . In calculating the Peierls barrier and stress, the contribution from stain energy ignored by classical P-N theory has been considered. The calculated results show that when the dislocation moves, both the misfit and strain energies change periodically. They cancel each other due to the same order but opposite phases. Accordingly, the Peierls barrier and stress calculated from improved P-N theory are much lower than those calculated from the classical P-N theory. The Peierls barrier for 90° and 30° partials obtained by us is respectively about  ~0.047 eV/Å and 0.044–0.075 eV/Å, the Peierls stress is respectively about 3.7–5.0 GPa and 4.2–6.9 GPa. Content Type Journal Article Category Regular Article Pages 1-5 DOI 10.1140/epjb/e2012-20713-3 Authors H. L. Zhang, Kunming University of Science and Technology, Kunming, 650093 P.R. China C. J. Yuan, Kunming University of Science and Technology, Kunming, 650093 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028 Journal Volume Volume 85 Journal Issue Volume 85, Number 3

Description:    The kinetic principles of sorption of formaldehyde sorption on a polyfunctional weak-basic anion exchanger are considered. It is found that the limiting step of sorbate uptake is external diffusion. Parameters of formaldehyde sorption from aqueous solutions under dynamic conditions are determined. Content Type Journal Article Category Short Communications Pages 884-885 DOI 10.1134/S0036024412050354 Authors I. V. Voronyuk, Voronezh State University, Voronezh, Russia T. V. Eliseeva, Voronezh State University, Voronezh, Russia V. F. Selemenev, Voronezh State University, Voronezh, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Description:    The kinetics of tin oxidation was studied using Auger spectroscopy and characteristic electron energy loss spectroscopy. Studies were performed with continuous electron irradiation ( E p = 1800 eV) and without it depending on exposition in oxygen medium at a 10 −6 torr partial oxygen pressure and room temperature (maximum exposure in oxygen was 3000 Langmuir). Exposition to oxygen at 3000 L was shown to cause the formation of a continuous SnO 2 oxide layer, whereas electron irradiation with the same exposition stimulated the growth of a layer predominantly containing SnO. Content Type Journal Article Category Chemical Kinetics and Catalysis Pages 752-756 DOI 10.1134/S0036024412050032 Authors O. G. Ashkhotov, Kabardino-Balkar State University, ul. Chernyshevskogo 173, Nalchik, 360004 Russia I. B. Ashkhotova, Kabardino-Balkar State University, ul. Chernyshevskogo 173, Nalchik, 360004 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Description:    A 16-constant additive scheme was derived for calculating the physicochemical properties of saturated monoalcohols CH 4 O-C 9 H 20 O and decomposing the triangular numbers of the Pascal triangle based on the similarity of subgraphs in the molecular graphs (MGs) of the homologous series of these alcohols. It was shown, using this scheme for calculation of properties of saturated monoalcohols as an example, that each coefficient of the scheme (in other words, the number of methods to impose a chain of a definite length i 1 , i 2 , … on a molecular graph) is the result of the decomposition of the triangular numbers of the Pascal triangle. A linear dependence was found within the adopted classification of structural elements. Sixteen parameters of the schemes were recorded as linear combinations of 17 parameters. The enthalpies of vaporization L 298 K 0 of the saturated monoalcohols CH 4 O-C 9 H 20 O, for which there were no experimental data, were calculated. It was shown that the parameters are not chosen randomly when using the given procedure for constructing an additive scheme by decomposing the triangular numbers of the Pascal triangle. Content Type Journal Article Category Chemical Thermodynamics and Thermochemistry Pages 736-740 DOI 10.1134/S0036024412050123 Authors V. V. Grebeshkov, Tver State University, Tver, Russia V. M. Smolyakov, Tver State University, Tver, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Description:    Calorimetric measurements were performed and the heat effects of sorption of ammonium ions from aqueous solutions by the M 45 K 20 natural sorbent and its acid- and alkali-activated forms were calculated. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 849-851 DOI 10.1134/S0036024412050214 Authors Ly Tkhi Ien, Voronezh State University, Universitetskaya pl. 1, Voronezh, 394893 Russia V. Yu. Khokhlov, Voronezh State University, Universitetskaya pl. 1, Voronezh, 394893 Russia L. P. Bondareva, Voronezh State Technological Academy, pr. Revolyutsii 19, Voronezh, 394017 Russia L. I. Bel’chinskaya, Voronezh Forestry Engineering Academy, Voronezh, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5