Electronic structure and ferromagnetic-antiferromagnetic transition in cubic perovskite-type compound mn3gac

Masafumi Shirai; Yoshifumi Ōhata; Naoshi Suzuki; Kazuko Motizuki

doi:10.7567/JJAPS.32S3.250

Electronic structure and ferromagnetic-antiferromagnetic transition in cubic perovskite-type compound mn₃gac

Masafumi Shirai, Yoshifumi Ōhata, Naoshi Suzuki, Kazuko Motizuki

RIEC - Computing System Platforms Division

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

28 Citations (Scopus)

Abstract

First-principles band structure calculations are performed by using a self-consistent linearized augmented-plane-wave (LAPW) method for the non-magnetic, ferromagnetic (FM) and antiferromagnetic (AFM) states of Mn₃GaC, in orderto provide the basis for understanding the origin of the FM-AFM transition of Mn₃GaC. Total energies for both the FMand AFM states are calculated as a function of the unit cell volume and compared with each other. The stability of thesemagnetic ordered phases is discussed and pressure effects on magnetic properties are predicted.

Original language	English
Pages (from-to)	250-252
Number of pages	3
Journal	Japanese Journal of Applied Physics
Volume	32
Issue number	S3
DOIs	https://doi.org/10.7567/JJAPS.32S3.250
Publication status	Published - 1993 Jan

Keywords

Electronic band structure
Ferromagnetic-antiferromagnetic transition
LAPW method
MnGaC
Perovskite
Total energy

Access to Document

10.7567/JJAPS.32S3.250

Cite this

@article{ecabd21c993d4a978d9e3a13905ea0fb,

title = "Electronic structure and ferromagnetic-antiferromagnetic transition in cubic perovskite-type compound mn3gac",

abstract = "First-principles band structure calculations are performed by using a self-consistent linearized augmented-plane-wave (LAPW) method for the non-magnetic, ferromagnetic (FM) and antiferromagnetic (AFM) states of Mn3GaC, in orderto provide the basis for understanding the origin of the FM-AFM transition of Mn3GaC. Total energies for both the FMand AFM states are calculated as a function of the unit cell volume and compared with each other. The stability of thesemagnetic ordered phases is discussed and pressure effects on magnetic properties are predicted.",

keywords = "Electronic band structure, Ferromagnetic-antiferromagnetic transition, LAPW method, MnGaC, Perovskite, Total energy",

author = "Masafumi Shirai and Yoshifumi Ōhata and Naoshi Suzuki and Kazuko Motizuki",

year = "1993",

month = jan,

doi = "10.7567/JJAPS.32S3.250",

language = "English",

volume = "32",

pages = "250--252",

journal = "Japanese Journal of Applied Physics",

issn = "0021-4922",

publisher = "Japan Society of Applied Physics",

number = "S3",

}

TY - JOUR

T1 - Electronic structure and ferromagnetic-antiferromagnetic transition in cubic perovskite-type compound mn3gac

AU - Shirai, Masafumi

AU - Ōhata, Yoshifumi

AU - Suzuki, Naoshi

AU - Motizuki, Kazuko

PY - 1993/1

Y1 - 1993/1

N2 - First-principles band structure calculations are performed by using a self-consistent linearized augmented-plane-wave (LAPW) method for the non-magnetic, ferromagnetic (FM) and antiferromagnetic (AFM) states of Mn3GaC, in orderto provide the basis for understanding the origin of the FM-AFM transition of Mn3GaC. Total energies for both the FMand AFM states are calculated as a function of the unit cell volume and compared with each other. The stability of thesemagnetic ordered phases is discussed and pressure effects on magnetic properties are predicted.

AB - First-principles band structure calculations are performed by using a self-consistent linearized augmented-plane-wave (LAPW) method for the non-magnetic, ferromagnetic (FM) and antiferromagnetic (AFM) states of Mn3GaC, in orderto provide the basis for understanding the origin of the FM-AFM transition of Mn3GaC. Total energies for both the FMand AFM states are calculated as a function of the unit cell volume and compared with each other. The stability of thesemagnetic ordered phases is discussed and pressure effects on magnetic properties are predicted.

KW - Electronic band structure

KW - Ferromagnetic-antiferromagnetic transition

KW - LAPW method

KW - MnGaC

KW - Perovskite

KW - Total energy

UR - http://www.scopus.com/inward/record.url?scp=84956268945&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84956268945&partnerID=8YFLogxK

U2 - 10.7567/JJAPS.32S3.250

DO - 10.7567/JJAPS.32S3.250

M3 - Article

AN - SCOPUS:84956268945

SN - 0021-4922

VL - 32

SP - 250

EP - 252

JO - Japanese Journal of Applied Physics

JF - Japanese Journal of Applied Physics

IS - S3

ER -

Electronic structure and ferromagnetic-antiferromagnetic transition in cubic perovskite-type compound mn₃gac

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this