First Principles Calculation for the Magnetic Structure of γ-Mn

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Abstract

Magnetic structure of γ-Mn which is experimentally believed to be a collinear antiferromagnet with lattice distortion of c/a < 1 is investigated by taking the non-collinear spin structures into account in the LMTO-ASA. Comparison of the total energies for various magnetic structures indicates that at c/a = 1 the non-collinear antiferromagnetic structure is more stable than the collinear structure, although the energy difference is quite subtle (less than 0.1 mRy/atom). It is shown that the lattice distortion to c/a < 1 is strongly responsible for the collinear antiferromagnetic structure and it simultaneously makes the system stable.

Original languageEnglish
Pages (from-to)2815-2817
Number of pages3
Journaljournal of the physical society of japan
Volume67
Issue number8
DOIs
Publication statusPublished - 1998 Aug
Externally publishedYes

Keywords

  • Antiferromagnetism
  • LMTO-ASA
  • Non-collinear spin structure
  • γ-Mn

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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