Influence of L2 1B Disorder on the Spin-Gapless Semiconductor Character in Quaternary Heusler Alloys CoFeMnSi and CoFeVSi

被引：9

作者：

Ren, Zhi ^{[1
]}

Zhao, Yiming ^{[1
]}

Jiao, Jian ^{[1
]}

Zheng, Ning ^{[1
]}

Liu, Heyan ^{[2
]}

Li, Songtao ^{[1
]}

机构：

[1] North China Elect Power Univ, Sch Math & Phys, Baoding 071003, Peoples R China

[2] Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2016年 / 29卷 / 12期

基金：

美国国家科学基金会;

关键词：

Heusler alloys; Site preference; Spin-gapless semiconductor; MAGNETIC-PROPERTIES; FE;

D O I：

10.1007/s10948-016-3721-x

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The relative stability between disordered L2(1)B structure and ordered XA structure in Heusler alloys CoFeVSi and CoFeMnSi has been compared by using first-principles calculations. It has been found that the L2(1)B structure is lower in energy and stable in CoFeMnSi while in CoFeVSi, the ordered XA structure has a higher stability. The SGS character in XA-type CoFeVSi and CoFeMnSi may be disturbed by L2(1)B disorder. CoFeMnSi becomes a half-metal while CoFeVSi becomes a normal ferromagnetic metal when L2(1)B disorder occurs. The SGS character in XA-type and half-metallicity in L2(1)B-type CoFeMnSi are insensitive to lattice distortion, which is interesting to technical applications. Finally, our results suggest that the relative stability of L2(1)B structure and XA structures in Heusler alloys may be composition dependent, and the possibility of L2(1)B structure should be considered, when designing and preparing Heusler alloys.

引用

页码：3181 / 3186

页数：6

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