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  • 1
    Electronic Resource
    Electronic Resource
    Antiferromagnetism in face-centered-tetragonal iron : 35th annual conference on magnetism and magnetic materials (1991)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 69 (1991), S. 6132-6134 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The total energy of face-centered-tetragonal iron is calculated within density- functional theory. We have obtained results for nonmagnetic, ferromagnetic, and antiferromagnetic iron. In the range of tetragonal structures we have studied, our total- energy calculations for the ferromagnetic phase give just two minima: One is nearly bcc (c/a=0.71) and one is nearly fcc (c/a=1). The antiferromagnetic phase yields only one minimum near the fcc structure, but is unstable near the bcc structure. The global minimum in total energy is antiferromagnetic. The difference in total energy between ferromagnetic and antiferromagnetic iron shows an oscillatory behavior as a function of c/a. Our results show that it might be possible to grow iron films with a large in-plane lattice constant that have an antiferromagnetic ordering.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.348781
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  • 2
    Electronic Resource
    Electronic Resource
    Role of orbital polarization in calculations of the magnetic anisotropy (2000)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 87 (2000), S. 5875-5877 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Magnetic anisotropy is a difficult topic to describe by electronic structure theory. The results of ab initio calculations for iron and nickel are disappointing, especially since these calculations require high numerical precision and are very time consuming. For iron the value of the energy is too small by a factor of 3, while for nickel the sign is wrong and the value is too small by a factor of 5. The local density approximation can be improved by adding corrections that mimic the inclusion of Hund's second rule. This is equivalent to increasing the effective spin–orbit parameter. For iron a small increase in the effective spin–orbit parameter is sufficient to reconcile theory and experiment. For nickel, this is not possible. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.372552
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  • 3
    Electronic Resource
    Electronic Resource
    Calculation of the magnetocrystalline anisotropy energy using a torque method : The 41st annual conference on magnetism and magnetic materials (1997)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 81 (1997), S. 3869-3871 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We calculate the torque on a magnetic moment with arbitrary orientation in a solid and use it to calculate the magnetocrystalline anisotropy energy (MAE) of bulk materials by integrating the torque along an angular path connecting the easy and hard magnetization directions. We apply this approach to the calculation of the MAE of elemental ferromagnets Ni and Fe using a tight-binding model with an added spin-orbit-coupling (SOC) term λSOL⋅S. The MAE for both Fe and Ni is computed for a wide range of values of the SOC strength. Our results for the MAE calculated with the torque method agree with the MAE determined from energy differences. The convergence rate as a function of k-vector needed for integrating over the Brillouin zone for the torque method is comparable to the convergence rate of conventional energy difference schemes. We compare the calculated torque as function of angle to the lowest order term in the expansion in anisotropy constants. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.364737
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  • 4
    Electronic Resource
    Electronic Resource
    Critical temperature of iron derived from total energy calculations (1988)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 64 (1988), S. 5607-5609 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have performed total energy calculations for iron in the ferromagnetic and in several antiferromagnetic configurations. It is assumed that the functional describing exchange and correlation is the same for the ferromagnetic ground state and the antiferromagnetic states. The calculated total energies are used to obtain the interaction parameters in a Heisenberg model. From this Heisenberg model we derive excited state properties, where one has to keep in mind that the model parameters are directly based on the ground-state ab initio results. The nearest-neighbor interaction is ferromagnetic and a model which includes only nearest-neighbor interactions yields a transition temperature of 1685 K. The next-nearest-neighbor interaction, however, is antiferromagnetic and reduces the critical temperature to 895 K. Several other physical quantities derived from our model Heisenberg Hamiltonian are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.342296
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  • 5
    Electronic Resource
    Electronic Resource
    Model calculations of the magnetic anisotropy in 3d transition metals (1988)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 64 (1988), S. 5604-5606 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A simple model of the magnetic anisotropy in 3d transition metals is based on a 10×10 Hamiltonian describing all d states. We include spin-orbit interaction, a cubic crystal field, an effective Weiss exchange-correlation field which couples only to the spins, and a Breit term which couples to the orbits. Changes in the total energy are obtained from the sum of the eigenvalues after broadening the levels with an effective temperature corresponding to the bandwidth. Our calculations show that, using realistic values for the parameters in the model Hamiltonian, the experimental values of the anisotropy can only be reproduced when we include the Breit term which couples to the orbits.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.342295
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  • 6
    Electronic Resource
    Electronic Resource
    Origin of orbital momentum and magnetic anisotropy in transition metals (1990)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 4555-4557 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Orbital angular momentum is necessary in order to have magnetic anisotropy. In a magnetic system, orbital angular momentum is caused by spin-orbit coupling as well as by many-body correlation effects. Standard band-structure calculations only include the first of these two contributions. In this paper it is argued that, even in transition metals, the second contribution is probably more important.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.344868
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  • 7
    Electronic Resource
    Electronic Resource
    Fixed spin moment calculations of the total energy of Fe16N2 : The 41st annual conference on magnetism and magnetic materials (1997)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 81 (1997), S. 3866-3868 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have calculated the total energy of Fe16N2 at the experimental crystal structure as a function of the total magnetic moment. The minimum in the total energy occurs at a value of the magnetic moment which is consistent with all previous calculations. When we decrease the total spin moment, there is a sharp transition to a ferrimagnetic state in which the spin moment on two of the three iron sites remains large. We find no evidence for extremely large values of the spin magnetic moment in this system. Calculations for a similar system without nitrogen gives equivalent results, which shows that nitrogen does not affect the magnetic properties and is only needed to define the structure. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.364736
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  • 8
    Electronic Resource
    Electronic Resource
    Nucleotide sequence of avian retroviral oncogene v- mil : homologue of murine retroviral oncogene v- raf (1984)
    [s.l.] : Nature Publishing Group
    Nature 309 (1984), S. 85-88 
    Details
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] 1,416 nucleotides of MH2 pro viral sequence containing the complete v-mil sequence as well as adjacent viral gag pi 2 sequence at its 5' end and my c gene sequence at its 3' end were determined and compared with the corresponding v-ra/ sequence in Fig. 1. The 5' end of \-mil is tentatively located ...
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1038/309085a0
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  • 9
    Electronic Resource
    Electronic Resource
    Secretion-coupled increase in the catalytic activity of rat hepatic lipase
    Amsterdam : Elsevier
    Biochimica et Biophysica Acta (BBA)/Lipids and Lipid Metabolism 1086 (1991), S. 49-56 
    Details
    ISSN: 0005-2760
    Keywords: (Rat hepatocyte) ; Enzyme activity ; Glycosylation ; Hepatic lipase ; Immunoinhibition ; Maturation ; Synthesis
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Medicine , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1016/0005-2760(91)90153-9
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  • 10
    Electronic Resource
    Electronic Resource
    The effects of probucol on lipoprotein metabolism in the rat
    Amsterdam : Elsevier
    Biochimica et Biophysica Acta (BBA)/Lipids and Lipid Metabolism 1085 (1991), S. 131-135 
    Details
    ISSN: 0005-2760
    Keywords: Apolipoprotein ; Atherosclerosis ; Gene expression ; Hyperlipidemia ; Hypolipidemic drug ; LDL-receptor ; Probucol
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Medicine , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1016/0005-2760(91)90241-9
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