Half-metallic ferromagnetism in zinc-blende CrBi and the stability of the half-metallicity of zinc-blende CrM (M = P, As, Sb, Bi)

Ming Zhang; Haining Hu; Guodong Liu; Yuting Cui; Zhuhong Liu; Jianli Wang; Guangheng Wu; Xixiang Zhang; Liqin Yan; Heyan Liu; Fanbin Meng; Jingping Qu; Yangxian Li

doi:10.1088/0953-8984/15/29/313

Half-metallic ferromagnetism in zinc-blende CrBi and the stability of the half-metallicity of zinc-blende CrM (M = P, As, Sb, Bi)

Ming Zhang^*, Haining Hu, Guodong Liu, Yuting Cui, Zhuhong Liu, Jianli Wang, Guangheng Wu, Xixiang Zhang, Liqin Yan, Heyan Liu, Fanbin Meng, Jingping Qu, Yangxian Li

^*Corresponding author for this work

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

33 Scopus citations

Abstract

First-principles calculations within density-functional theory are used to investigate zinc-blende-structured CrBi. Our calculation predicts ZB-type CrBi to be a true half-metallic ferromagnet with a magnetic moment of 3 μ _B per formula. Its half-metallicity can be maintained over a relatively wide range of lattice constant (from -8 to 8%). The trends with varying lattice constant for the ZB-type half-metallic system CrM (M = P, As, Sb, Bi) are also studied.

Original language	English (US)
Pages (from-to)	5017-5024
Number of pages	8
Journal	Journal of Physics Condensed Matter
Volume	15
Issue number	29
DOIs	https://doi.org/10.1088/0953-8984/15/29/313
State	Published - Jul 30 2003
Externally published	Yes

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics

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title = "Half-metallic ferromagnetism in zinc-blende CrBi and the stability of the half-metallicity of zinc-blende CrM (M = P, As, Sb, Bi)",

abstract = "First-principles calculations within density-functional theory are used to investigate zinc-blende-structured CrBi. Our calculation predicts ZB-type CrBi to be a true half-metallic ferromagnet with a magnetic moment of 3 μ B per formula. Its half-metallicity can be maintained over a relatively wide range of lattice constant (from -8 to 8%). The trends with varying lattice constant for the ZB-type half-metallic system CrM (M = P, As, Sb, Bi) are also studied.",

author = "Ming Zhang and Haining Hu and Guodong Liu and Yuting Cui and Zhuhong Liu and Jianli Wang and Guangheng Wu and Xixiang Zhang and Liqin Yan and Heyan Liu and Fanbin Meng and Jingping Qu and Yangxian Li",

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doi = "10.1088/0953-8984/15/29/313",

language = "English (US)",

volume = "15",

pages = "5017--5024",

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TY - JOUR

T1 - Half-metallic ferromagnetism in zinc-blende CrBi and the stability of the half-metallicity of zinc-blende CrM (M = P, As, Sb, Bi)

AU - Zhang, Ming

AU - Hu, Haining

AU - Liu, Guodong

AU - Cui, Yuting

AU - Liu, Zhuhong

AU - Wang, Jianli

AU - Wu, Guangheng

AU - Zhang, Xixiang

AU - Yan, Liqin

AU - Liu, Heyan

AU - Meng, Fanbin

AU - Qu, Jingping

AU - Li, Yangxian

PY - 2003/7/30

Y1 - 2003/7/30

N2 - First-principles calculations within density-functional theory are used to investigate zinc-blende-structured CrBi. Our calculation predicts ZB-type CrBi to be a true half-metallic ferromagnet with a magnetic moment of 3 μ B per formula. Its half-metallicity can be maintained over a relatively wide range of lattice constant (from -8 to 8%). The trends with varying lattice constant for the ZB-type half-metallic system CrM (M = P, As, Sb, Bi) are also studied.

AB - First-principles calculations within density-functional theory are used to investigate zinc-blende-structured CrBi. Our calculation predicts ZB-type CrBi to be a true half-metallic ferromagnet with a magnetic moment of 3 μ B per formula. Its half-metallicity can be maintained over a relatively wide range of lattice constant (from -8 to 8%). The trends with varying lattice constant for the ZB-type half-metallic system CrM (M = P, As, Sb, Bi) are also studied.

UR - http://www.scopus.com/inward/record.url?scp=0042657893&partnerID=8YFLogxK

U2 - 10.1088/0953-8984/15/29/313

DO - 10.1088/0953-8984/15/29/313

M3 - Article

AN - SCOPUS:0042657893

SN - 0953-8984

VL - 15

SP - 5017

EP - 5024

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

IS - 29

ER -

Half-metallic ferromagnetism in zinc-blende CrBi and the stability of the half-metallicity of zinc-blende CrM (M = P, As, Sb, Bi)

Abstract

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