First-principles calculation of the structural and magnetic properties of Fe/Au and Cr/Au monatomic multilayers

Jian Tao Wang, Zhi Qiang Li, Yoshiyuki Kawazoe

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The structural and magnetic properties of Fe/Au and Cr/Au monatomic multilayers with the tetragonal L10 ordered structure in paramagnetic, ferromagnetic, and antiferromagnetic states are studied by means of the self-consistent full-potential linearized augmented-plane-wave method. It is found that the L10 ordered Fe/Au monatomic multilayer has a ferromagnetic ground state with an enhanced moment of 2.76μg of Fe. On the other hand, the L10 ordered Cr/Au monatomic multilayer has an antiferromagnetic ground state with a large local moment 3.18μg of Cr. By total energy minimization, the lattice constants for their ground states are determined.

Original languageEnglish
Pages (from-to)4549-4556
Number of pages8
JournalJournal of Physics Condensed Matter
Volume9
Issue number22
DOIs
Publication statusPublished - 1997 Jun 2

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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