First-principal study of full Heusler alloys Co2VZ (Z = As, In)

被引：30

作者：

Gupta, Dinesh C. ^{[1
]}

Ghosh, Sukriti ^{[1
,2
]}

机构：

[1] Jiwaji Univ, Sch Studies Phys, Condensed Matter Theory Grp, Gwalior 474011, MP, India

[2] Govt KRG Auto PG Coll, Dept Phys, Gwalior 474001, MP, India

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2017年 / 435卷

关键词：

Elastic properties; Electronic properties; Magnetic properties; Thermodynamic properties; Transport properties; Band structure; THERMODYNAMIC PROPERTIES; MODEL;

D O I：

10.1016/j.jmmm.2017.03.067

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have used full-potential linearized augmented plane wave method in the stable Fm-3m phase to investigate the structural, elastic, magnetic and electronic properties of Co(2)VZ (Z = As, In). The optimized equilibrium lattice parameter in stable phase is 5.80 angstrom for Co2VAs and 6.01 angstrom for Co2VIn. Ferromagnetic behavior of both the alloys is explained by the spin resolved density of states. The exchange splitting due to Co and V atoms are responsible for the ferromagnetic behaviour. No energy gap is found in spin up state while an energy gap can be seen in spin down state, hence, showing half-metallic nature. Elastic stability is discussed through elastic constants. Thermodynamic properties of the alloys have been obtained by using the quasi-harmonic approximations. Boltzmann theory is employed to investigate the electronic transport properties of these alloys. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：107 / 116

页数：10

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