Investigations on magnetic properties of p-type ferromagnetic (Ca, Na)(Zn, Mn)2As2

被引：2

作者：

Cui, Yan ^{[1
]}

Zhu, Jiguo ^{[1
]}

Wang, Shu ^{[1
]}

Tao, Hualong ^{[1
]}

Liang, Yao ^{[1
]}

Wang, Manfu ^{[1
]}

Li, Li ^{[1
]}

He, Ming ^{[2
]}

Song, Bo ^{[3
]}

Zhang, Zhihua ^{[1
]}

机构：

[1] Dalian Jiaotong Univ, Sch Mat Sci & Engn, Dalian 116028, Liaoning, Peoples R China

[2] Dalian Minzu Univ, Sch Phys & Mat Engn, Dalian 116600, Peoples R China

[3] Harbin Inst Technol, Acad Fundamental & Interdisciplinary Sci, Harbin 150080, Peoples R China

来源：

MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS | 2021年 / 271卷

基金：

中国国家自然科学基金;

关键词：

Doped; First-principles calculation; Magnetic properties and electronic structure; (Ca; Na)(Zn; Mn)(2)As-2; SEMICONDUCTOR; CAZN2AS2; MN;

D O I：

10.1016/j.mseb.2021.115282

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Electronic structure and magnetic properties of (Ca, Na)(Zn, Mn)2As2 system were discussed by the first-principle calculations. Both Mn-doped and Mn/Na-codoped CaZn2As2 systems were magnetic. And the Mn-doped CaZn2As2 system was relatively stable in contrast with the Mn/Na-codoped CaZn2As2 system. The magnetic moments were mainly attributed to the d orbitals of Mn atoms, while the hole carriers were generated by the (Ca2+, Na+) substitutions. The p-d hybridization-mediated coupling interaction was suggested to understand the origin of ferromagnetism of (Ca, Na)(Zn, Mn)2As2 system.

引用

页数：4

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