A HALF-METALLIC BAND-STRUCTURE AND FE(2)MNZ (Z=AL, SI, P)

被引：135

作者：

FUJII, S ^{[1
]}

ISHIDA, S ^{[1
]}

ASANO, S ^{[1
]}

机构：

[1] UNIV TOKYO, COLL ARTS & SCI, INST PHYS, MEGURO KU, TOKYO 153, JAPAN

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1995年 / 64卷 / 01期

关键词：

HALF METALLIC; HEUSLER; FE2MNSI; LMTO-ASA;

D O I：

10.1143/JPSJ.64.185

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Band calculation results show that Heusler compounds Fe(2)MnZ (Z=Al, Si, P) have a band gap near the Fermi energy for one spin direction. Except for Fe2MnSi, the compounds does not have a half-metallic character because there is a slight density of states at the Fermi energy in the minority-spin state. An analysis of density of states indicates that there exists sufficiently strong d-d hybridization between metal atoms and weak p-d hybridization between Si and metal atoms. Due to this weakness, the replacement of Si by Al or P does not cause considerable change in the DOS structure. However, the weak hybridization defines the electronic character of the system.

引用

页码：185 / 191

页数：7

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