Pressure Dependence of Half Metallic Behavior of Co2VZ (Z=Si, Ge)-An ab initio Study

被引：2

作者：

Seema, K. ^{[1
]}

Kumar, Ranjan ^{[1
]}

机构：

[1] Panjab Univ, Dept Phys, Chandigarh 160014, India

来源：

SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS SYMPOSIUM 2013, PTS A & B | 2014年 / 1591卷

关键词：

Heusler alloys; Pressure; Half metal;

D O I：

10.1063/1.4872979

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structural, electronic and magnetic properties of Co-based Heusler compounds Co(2)VZ (Z=Si, Ge) under pressure are studied using first-principles density functional theory. The total magnetic moment decreases on compression. Under application of external pressure, the valence band and conduction band are shifted downward which leads to modification of electronic structure. True half metallic to nearly half metallic transition is observed at 30 GPa, 50 GPa for Co2VSi and Co2VGe respectively. Around 100 GPa, Co2VGe shows complete metallic behavior. The half metal to metal transition is accompanied by quenching of magnetic moment.

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页码：1414 / 1416

页数：3

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