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
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页数：4
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