First-principles study on half-metallicity of disordered Co 2(Cr1-xFex)Al

Yoshio Miura; Masafumi Shirai; Kazutaka Nagao

doi:10.1063/1.1669115

First-principles study on half-metallicity of disordered Co ₂(Cr_1-xFe_x)Al

Yoshio Miura, Masafumi Shirai, Kazutaka Nagao

RIEC - Computing System Platforms Division

Tohoku University

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

72 Citations (Scopus)

Abstract

The effects of atomic disorder on the electronic and magnetic structures of the full-Heusler alloy Co₂(Cr_1-xFe_x)Al were analyzed using the first-principles density functional calculation. It was shown that Co₂(Cr_0.6Fe_0.4)Al preserves the high spin polarization even in the disordered B2 structure, where (Cr,Fe) and Al randomly occupy octahedral sites of the alloy. It was found that the disorder between Co and (Cr,Fe) considerably reduces the the spin polarization. The results show that control of the disorder between Co and (Co,Fe) is crucial in order to obtain highly spin polarized full-Heusler alloys.

Original language	English
Pages (from-to)	7225-7227
Number of pages	3
Journal	Journal of Applied Physics
Volume	95
Issue number	11 II
DOIs	https://doi.org/10.1063/1.1669115
Publication status	Published - 2004 Jun 1

Access to Document

10.1063/1.1669115

Cite this

@article{a03f2313dde342c6972ad4835fcbda41,

title = "First-principles study on half-metallicity of disordered Co 2(Cr1-xFex)Al",

abstract = "The effects of atomic disorder on the electronic and magnetic structures of the full-Heusler alloy Co2(Cr1-xFex)Al were analyzed using the first-principles density functional calculation. It was shown that Co2(Cr0.6Fe0.4)Al preserves the high spin polarization even in the disordered B2 structure, where (Cr,Fe) and Al randomly occupy octahedral sites of the alloy. It was found that the disorder between Co and (Cr,Fe) considerably reduces the the spin polarization. The results show that control of the disorder between Co and (Co,Fe) is crucial in order to obtain highly spin polarized full-Heusler alloys.",

author = "Yoshio Miura and Masafumi Shirai and Kazutaka Nagao",

year = "2004",

month = jun,

day = "1",

doi = "10.1063/1.1669115",

language = "English",

volume = "95",

pages = "7225--7227",

journal = "Journal of Applied Physics",

issn = "0021-8979",

publisher = "American Institute of Physics",

number = "11 II",

}

TY - JOUR

T1 - First-principles study on half-metallicity of disordered Co 2(Cr1-xFex)Al

AU - Miura, Yoshio

AU - Shirai, Masafumi

AU - Nagao, Kazutaka

PY - 2004/6/1

Y1 - 2004/6/1

N2 - The effects of atomic disorder on the electronic and magnetic structures of the full-Heusler alloy Co2(Cr1-xFex)Al were analyzed using the first-principles density functional calculation. It was shown that Co2(Cr0.6Fe0.4)Al preserves the high spin polarization even in the disordered B2 structure, where (Cr,Fe) and Al randomly occupy octahedral sites of the alloy. It was found that the disorder between Co and (Cr,Fe) considerably reduces the the spin polarization. The results show that control of the disorder between Co and (Co,Fe) is crucial in order to obtain highly spin polarized full-Heusler alloys.

AB - The effects of atomic disorder on the electronic and magnetic structures of the full-Heusler alloy Co2(Cr1-xFex)Al were analyzed using the first-principles density functional calculation. It was shown that Co2(Cr0.6Fe0.4)Al preserves the high spin polarization even in the disordered B2 structure, where (Cr,Fe) and Al randomly occupy octahedral sites of the alloy. It was found that the disorder between Co and (Cr,Fe) considerably reduces the the spin polarization. The results show that control of the disorder between Co and (Co,Fe) is crucial in order to obtain highly spin polarized full-Heusler alloys.

UR - http://www.scopus.com/inward/record.url?scp=2942648690&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=2942648690&partnerID=8YFLogxK

U2 - 10.1063/1.1669115

DO - 10.1063/1.1669115

M3 - Article

AN - SCOPUS:2942648690

SN - 0021-8979

VL - 95

SP - 7225

EP - 7227

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 11 II

ER -

First-principles study on half-metallicity of disordered Co ₂(Cr_1-xFe_x)Al

Abstract

Access to Document

Other files and links

Fingerprint

Cite this