Examining the half-metallicity and thermoelectric properties of new equiatomic quaternary Heusler compound CoVRhGe under pressure

被引：25

作者：

Hoat, D. M. ^{[1
,2
]}

Naseri, Mosayeb ^{[3
]}

机构：

[1] Ton Duc Thang Univ, Adv Inst Mat Sci, Computat Lab Adv Mat & Struct, Ho Chi Minh City, Vietnam

[2] Ton Duc Thang Univ, Fac Appl Sci, Ho Chi Minh City, Vietnam

[3] Islamic Azad Univ, Dept Phys, Kermanshah Branch, POB 6718997551, Kermanshah, Iran

来源：

PHYSICA B-CONDENSED MATTER | 2020年 / 583卷

关键词：

First-principles study; Equiatomic quaternary Heusler - EQH; Electronic properties; Magnetic properties; Thermoelectric properties; 1ST-PRINCIPLES; FERROMAGNETISM; SPINTRONICS; MONOLAYER; MAGNETISM; SR; BA; CA; GE; AL;

D O I：

10.1016/j.physb.2020.412058

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Structural, electronic, magnetic and thermoelectric properties of a new equiatomic quaternary Heusler (EQH) compound CoVRhGe are studied using the full-potential linearized augmented plane-wave (FP-LAPW) approach and Boltzmann transport theory. The structural optimization is carried out by considering different configurations of atomic positions at non-magnetic and ferromagnetic states. Obtained results show that the considered compound is half-metallic with a spin-down semiconducting band gap of 0.812 eV and its magnetic properties do follow the Slater-Pauling rule. CoVRhGe quaternary has high Seebeck coefficient in the spin-down (spin-dn) state and high electrical conductivity in the spin-up state resulting from the semiconductor and metallic nature, respectively. Finally, the pressure effect on the electronic, magnetic and thermoelectric properties of the studied material is also systematically examined.

引用

页数：8

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