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A first-principles theory of magnetocrystalline anisotropy in metals

Strange, Paul, Ebert, H., Staunton, Julie, Gyorffy, Balazs L. (1989) A first-principles theory of magnetocrystalline anisotropy in metals. Journal of Physics: Condensed Matter, 1 . pp. 3947-3955. ISSN 0953-8984. (doi:10.1088/0953-8984/1/25/007) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided) (KAR id:49678)

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A first-principles theory of the zero-temperature magnetocrystalline anisotropy in metals is discussed. It is based on a relativistic spin-polarised multiple-scattering theory. The magnetic moment can point along any direction with respect to the crystal lattice and the total energy iscalculated. The difference between totalenergies for two different moment directions is the magnetocrystalline anisotropy energy. We show that this energy difference can be written as the difference in single-particle energies for the same charge density. The theory is illustrated with a calculation of the anisotropy in energy and spin contribution to the magnetic moment in nickel. It is found that the theory gives good qualitative agreement with experiment in this case. Numerical difficulties involved in the calculation are discussed.

Item Type: Article
DOI/Identification number: 10.1088/0953-8984/1/25/007
Uncontrolled keywords: Physics of Quantum Materials
Subjects: Q Science > QC Physics > QC176 Solid state physics
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Paul Strange
Date Deposited: 23 Jul 2015 13:30 UTC
Last Modified: 16 Nov 2021 10:20 UTC
Resource URI: (The current URI for this page, for reference purposes)

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