First Principles Calculation for the Magnetic Structure of γ-Mn

Akimasa Sakuma

doi:10.1143/JPSJ.67.2815

First Principles Calculation for the Magnetic Structure of γ-Mn

Akimasa Sakuma

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

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 language	English
Pages (from-to)	2815-2817
Number of pages	3
Journal	journal of the physical society of japan
Volume	67
Issue number	8
DOIs	https://doi.org/10.1143/JPSJ.67.2815
Publication status	Published - 1998 Aug
Externally published	Yes

Keywords

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

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1143/JPSJ.67.2815

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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.",

keywords = "Antiferromagnetism, LMTO-ASA, Non-collinear spin structure, γ-Mn",

author = "Akimasa Sakuma",

year = "1998",

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AB - 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.

KW - Antiferromagnetism

KW - LMTO-ASA

KW - Non-collinear spin structure

KW - γ-Mn

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JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

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First Principles Calculation for the Magnetic Structure of γ-Mn

Abstract

Keywords

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