First-principles studies on the structural and magnetic properties of (Cr, Mn, Fe)/Ag 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 (Cr, Mn, Fe)/Ag monatomic multilayers with the tetragonal L10 ordered structure in paramagnetic, ferromagnetic, and three antiferromagnetic states are studied by means of the self-consistent full-potential linearized augmented-plane-wave method. By means of total-energy minimization, the lattice constants for their ground states are estimated. It is found that L10 ordered Cr/Ag has an AF1-type antiferromagnetic ground state with a large local moment of 3.30μB at the Cr site, L10 ordered Mn/Ag has an AF2-type antiferromagnetic ground state with a large local moment of 3.63μB at the Mn site, and the L10 ordered Fe/Ag monatomic multilayer has a ferromagnetic ground state with an enhanced moment of 2.75μB at the Fe site.

Original languageEnglish
Pages (from-to)9655-9662
Number of pages8
JournalJournal of Physics Condensed Matter
Volume10
Issue number43
DOIs
Publication statusPublished - 1998 Nov 2

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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