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  • 1
    Digitale Medien
    Digitale Medien
    Magnetism of metastable phases: Band theory and epitaxy (invited) (1988)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 63 (1988), S. 4045-4050 
    Details
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: Total-energy band calculations are used to analyze the magnetic phases of metallic elements as functions of volume. The calculations utilize a fixed-spin-moment procedure, which is described and justified as a natural generalization of density-functional theory. This procedure finds the ground-state energies of electronic systems under two constraints, and hence determines the system energy as a function of two variables—volume and magnetic moment. The energy function is used to find the ferromagnetic phases and their ground-state properties, including bulk moduli and magnetic susceptibilities. The systems studied are fcc Fe, fcc Co, bcc Ni, fcc Pd, and bcc Mn, each of which undergoes a phase transition for small changes of the lattice constant from equilibrium (zero-pressure) values.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.340544
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  • 2
    Digitale Medien
    Digitale Medien
    Stoner theory of magnetic structure of alternate cubic phases of transition metals (1988)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 63 (1988), S. 4060-4062 
    Details
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: Epitaxial growth of bcc Co on a (110) GaAs substrate has demonstrated the feasibility of producing thin films of transition metals with structures not usually stable at room temperature and pressure. Thus an entirely new group of magnetic materials may be possible with interesting and perhaps significant magnetic properties. In this paper the simple Stoner theory of ferromagnetism is employed, with exchange-correlation parameters obtained from Janak's work and density of states at the Fermi level determined from self-consistent, paramagnetic energy-band calculations. The theory is applied to each of the 3d and 4d transition metals in both fcc and bcc phases. Ferromagnetism is obtained for bcc Fe, Co, and Mn and fcc Co and Ni, and strongly enhanced paramagnetism for bcc Sc, Ni, and Y and fcc Sc, Fe, and Pd. Comparisons are made with predictions of total energy and enhanced magnetic susceptibility calculations.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.340547
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    Magnetism in bcc 3d transition metals (1988)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 64 (1988), S. 5598-5600 
    Details
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: We present first-principles spin-polarized total-energy-band calculations based on a fixed-spin-moment procedure to show the volume dependence of the magnetic behavior for 3d bcc transition metals. All members of the series from Sc to Ni exhibit an onset of magnetic behavior at well-defined critical volumes by way of second-order, first-order, or composite transitions. As a function of volume, calculated magnetic moments tend towards free-atom limits consistent with Hund's rule and atomic ground-state configurations, and total energies tend towards free-atom energies. Volume-dependent l-decomposed spin configurations that provide an insight into the polarization process are presented for selected members of the series.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.342293
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  • 4
    Digitale Medien
    Digitale Medien
    The valence band structure of V−Mo solid solutions (1985)
    Springer
    The European physical journal 58 (1985), S. 293-297 
    Details
    ISSN: 1434-6036
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract The electronic structure of V x Mo1−x (x=0.2; 0.4; 0.6; 0.75) solid solutions was studied by XPS and UPS. The density of states at the Fermi energy,N(E F), deduced from these measurements, shows a minimum as a function of the alloy concentration on the Mo rich side. This behaviour can be explained by band structure calculations and is in good agreement with previous NMR measurements. The relation between the electronic structure at the Fermi level and the superconducting properties is discussed. The band structure of the Mo rich alloys can be understood in terms of a rigid band model.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01303670
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