First principles determination of spin-orbit induced phenomena at surfaces, interfaces and superlattices: magnetocrystalline anisotropy and magnetic circular dichroism

D. S. Wang, R. Q. Wu, L. P. Zhong, Arthur J Freeman

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8 Citations (Scopus)

Abstract

Two spin-orbit coupling induced effects, namely magnetocrystalline anisotropy (MCA) and magnetic circular dichroism (MCD) have been investigated using the first principles full potential linearized augmented plane wave method. For MCA, the stable results obtained through our newly developed state tracking approach for free standing Fe and Co monolayers, CoCu and CuPd interfaces and CoCu superlattices can be related and explained in terms of more fundamental electronic properties such as bonding character and band structure. From the directly calculated MCD spectra and ground state properties (e.g., spin and orbital magnetic moments), we found that the MCD orbital sum rule works well for transition metal systems, while its spin counterpart may result in significant errors.

Original languageEnglish
Pages (from-to)643-646
Number of pages4
JournalJournal of Magnetism and Magnetic Materials
Volume140-144
Issue numberPART 1
DOIs
Publication statusPublished - 1995

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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