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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Macromolecules 17 (1984), S. 1998-2005 
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Publication Date: 1984-10-01
    Print ISSN: 0024-9297
    Electronic ISSN: 1520-5835
    Topics: Chemistry and Pharmacology , Physics
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  • 3
    Publication Date: 2015-12-31
    Description: The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10 13  cm -2 and 10 14  cm -2 ) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existence of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E c -425 and E c -275 meV for implantation doses of 10 13  cm −2 and 10 14  cm −2 , respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E c and E c -450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known, the Meyer-Neldel rule typically appears in processes involving multiple excitations, like carrier capture and emission in deep levels, and it is generally observed in disordered systems. The obtained Meyer-Neldel energy value, 15.19 meV, is very close to the value obtained in multicrystalline silicon samples contaminated with iron (13.65 meV), meaning that this energy value could be associated to the phonons energy in this kind of substrates.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
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  • 4
    Publication Date: 2015-01-13
    Description: In the attempt to form an intermediate band in the bandgap of silicon substrates to give it the capability to absorb infrared radiation, we studied the deep levels in supersaturated silicon with titanium. The technique used to characterize the energy levels was the thermal admittance spectroscopy. Our experimental results showed that in samples with titanium concentration just under Mott limit there was a relationship among the activation energy value and the capture cross section value. This relationship obeys to the well known Meyer-Neldel rule, which typically appears in processes involving multiple excitations, like carrier capture/emission in deep levels, and it is generally observed in disordered systems. The obtained characteristic Meyer-Neldel parameters were Tmn = 176 K and kTmn = 15 meV. The energy value could be associated to the typical energy of the phonons in the substrate. The almost perfect adjust of all experimental data to the same straight line provides further evidence of the validity of the Meyer Neldel rule, and may contribute to obtain a deeper insight on the ultimate meaning of this phenomenon.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
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  • 5
    Publication Date: 2014-11-12
    Description: The two-photon absorption (TPA) coefficient β and the nonlinear index of refraction n 2 for bulk cuprous oxide (Cu 2 O) direct gap semiconductor single crystal have been measured by using a balance-detection Z-scan single beam technique, with an excellent signal to noise ratio. Both coefficients were measured at 790 nm using a 65 fs laser pulse at a repetition rate of 90.9 MHz, generated by a Ti:Sapphire laser oscillator. The experimental values for β were explained by using a model that includes allowed-allowed, forbidden-allowed, and forbidden-forbidden transitions. It was found that the forbidden-forbidden transition is the dominant mechanism, which is consistent with the band structure of Cu 2 O. The low value for β found in bulk, as compared with respect to thin film, is explained in terms of the structural change in thin films that result in opposite parities of the conduction and valence band. The n 2 is also theoretically calculated by using the TPA dispersion curve and the Kramers-Kronig relations for nonlinear optics.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of natural products 49 (1986), S. 318-320 
    ISSN: 1520-6025
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 11315-11322 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The reactions of Cd(1S:5s2,3,1P:5s15p1) and Hg(1S:6s2,3,1P:6s16p1) with SiH4 have been studied through multiconfiguration self-consistent-field (MCSCF) (with relativistic effective core potentials) followed by extensive variational and perturbational second-order multireference Möller–Plesset configuration interaction by perturbation selected by iterative process (CIPSI) calculations using extended Gaussian basis sets. It was found that both metal atoms in their 3P(ns1np1) state break the Si–H bond of silane spontaneously, leading directly to the MH+SiH3 final products, in agreement with the experimental results of this reaction for Cd. One important qualitative difference between the Cd and Hg(3P) reactions is that for the former an unstable intermediate was found, whereas for the latter no intermediate exists at all. Again, for both atoms, the 1P(ns1np1) state is also inserted in the Si–H bond and the corresponding interaction surface shows an avoided crossing with the lowest-lying X1A′ potential surface, adiabatically correlated with the M(1S:ns2)+SiH4 reactants. This interaction leads eventually to the MH+SiH3 products. The structure of these HMSiH3 intermediates, diabatically correlated with the M(1P:ns1np1)+SiH4 reactants, was carefully studied, as well as the dissociation channels leading to the MH+SiH3 and H+MSiH3 products. Accurate energy differences between all these species are also reported. The theoretical results obtained for the mercury reaction are discussed in light of the very recent experimental results of Legay-Sommaire and Legay [J. Phys. Chem. A 102, 8579 (1998)] for the insertion of Hg(3P:4s14p1) in SiH4 over N2 and rare gas matrices. Our results confirm their conclusion that the photochemical insertion of Hg(3P) into the Si–H bond of silane proceeds without any activation barrier. © 1999 American Institute of Physics.
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 6627-6633 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The reactions of Zn(1S, 3P, and 1P) with SiH4 have been studied through multiconfigurational self-consistent field (with relativistic effective core potentials) followed by extensive variational and perturbational second-order multireference Möller–Plesset configuration interaction by perturbation selected by iterative process calculations using extended Gaussian basis sets. The Zn atom in the 3P(4s14p1) state breaks the Si–H bond of silane spontaneously, leading directly to the ZnH+SiH3 final products, in agreement with experimental results. The 1P(4s14p1) Zn atom is also inserted in the Si–H bond and the corresponding interaction surface shows an avoided crossing with the lowest-lying X 1A′ potential surface, adiabatically correlated with the Zn(1S:4s2)+SiH4 reactants. This interaction leads also to the ZnH+SiH3 products. The structure of the HZnSiH3 intermediate product was carefully studied as well as the dissociation channels leading to the ZnH+SiH3 and H+ZnSiH3 products. Accurate energy differences between these species are also reported. The qualitative difference in the behavior of the 3P(4s14p1) Zn reaction with methane and silane has been explained by analyzing the corresponding potential energy surfaces; the present results confirm the C–H bond steric hindrance hypothesis advanced by Wang et al. [J. Chem. Phys. 104, 9401 (1996)]. © 1997 American Institute of Physics.
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 928-935 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The interactions of Cu(2S:3d104s1, 2D:3d94s2, and 2P:3d104p1) with SiH4 and GeH4 were studied by means of Hartree–Fock–SCF and multiconfigurational-SCF followed by variational and multireference second order Möller–Plesset perturbational configuration interaction (CIPSI) calculations, using relativistic effective core potentials. The Cu atom in its 2P(3d104p1) state is inserted in the Si–H and Ge–H bonds. In both interactions their corresponding 5 2A′ potential energy surfaces are initially attractive and become repulsive only after having encountered the avoided crossing region with the initially repulsive 4 2A′ surface adiabatically linked with the Cu(2D:3d94s2)–SiH4(GeH4) fragments. The three 2A′ curves derived from the interaction of the Cu(2D:3d94s2) atom with silicon (or germane) molecule are initially repulsive. Each one of them shows two avoided crossings and its lowest lying 2 2A′ curve goes sharply down until it meets the X 2A′ curve adiabatically linked with the Cu(2S:3d104s1)+SiH4(GeH4) asymptotes. The 2 2A′ curve becomes repulsive after the avoided crossing with the X 2A′ curve. The lowest-lying X 2A′ potential leads to the HCuZH3 X 2A1 (Z=Si, Ge) intermediate molecule. This intermediate molecule, diabatically correlated with the Cu(2P:3d104p1)+ZH4 fragments which lie 5.8 and 1.6 kcal/mol, respectively, above the ground state reactants, have been carefully characterized as well as the dissociation channels leading to the CuH+ZH3 and H+CuZH3 products. These products are reached from the HCuZH3 intermediates without activation barriers. This work suggests that the simultaneous photoexcitation of the Cu atom in presence of silane and germane molecules in the gas phase could be used to produce better quality a-SiGe:H thin films. © 2002 American Institute of Physics.
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 2647-2652 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The interaction of Cd(1S:5s2, 3,1P:5s15p1) and Hg(1S:6s2, 1,3P:6s16p1) with GeH4 were studied by means of Hartree–Fock self-consistent field (SCF) and multiconfigurational SCF plus variational and multireference second order Möller–Plesset perturbational configuration interaction (CIPSI) calculations, using relativistic effective core potentials. It was found that both metal atoms in their 3P(ns1np1) state break spontaneously the Ge–H bond of the germane molecule, giving place to the MH+GeH3 (M=Cd, Hg) final products. For both atoms, the 1P(ns1np1) state is also inserted in the Ge–H bond and the corresponding interaction surface shows an avoided crossing with the lowest-lying X 1A′ potential surface adiabatically linked with the M(1S:ns2)+GeH4. This interaction leads eventually to the MH+GeH3 products. The HMGeH3 X 1A1 (M=Cd, Hg) intermediate molecules, diabatically correlated with the M(1P:ns1np1)+GeH4, which lie 13.6 and 21 kcal/mol, respectively, above the ground state reactants, have been carefully characterized as well as the dissociation channels leading to the MH+GeH3 and H+MGeH3 products. These products are reached from the HMGeH3 intermediates without activation barriers. Accurate energy differences for all these species are reported. This work suggests that the simultaneous photoexcitation of Cd and Hg atoms in the presence of silane and germane molecules in the gas phase could be used to produce better quality a-SiGe:H thin films. © 2001 American Institute of Physics.
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