Magnetic mechanism investigations on K and Mn co-doped diluted magnetic semiconductor (Sr,K)(Zn,Mn)2As2

被引：9

作者：

Yang, Jun-Tao ^{[1
]}

Luo, Shi-Jun ^{[1
]}

Xiong, Yong-Chen ^{[1
]}

机构：

[1] HUAT, Sch Sci, Shiyan, Hubei, Peoples R China

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2016年 / 407卷

基金：

中国国家自然科学基金;

关键词：

Ferromagnetic materials; Decoupled charge and spin doping; Electronic structure; Mn clusters; First-principles calculations; FERROMAGNETIC SEMICONDUCTOR;

D O I：

10.1016/j.jmmm.2016.02.012

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

On the basic of the first -principles calculations with strong -correlated correction, the electronic structures and magnetic properties of a II-II-V based diluted magnetic semiconductor (Sr,K)(Zn,Mn)2As2 are investigated within Perdew-Burke-Ernzerhof generalized gradient approximation. With local spins doped via isovalent (Zn2+, Mn2+) substitutions, Sr(Zn,Mn)(2)As-2 system prefers antiferromagnetic ground state, caused by Mn-Mn superexchange interactions. Via off-stoichiometry (Sr2+,K+) substitutions, holes are introduced into (Sr,K)(Zn,Mn)(2)As-2 system, resulting in the ferromagnetic spin responses for local moments, except for the most nearest neighboring Mn-Mn pair. The ferromagnetism of this diluted magnetic semiconductor originates from the competition between the direct anti -ferromagnetic superexchange interaction and the indirect ferromagnetic coupling mediated by Zener's pal exchange interaction. Our calculations show that Zener's pal exchange interaction depends on the location of K dopants. From the investigation on the magnetic properties of Mn clusters, it is found that the reduction of the measured Mn saturation moments is caused by the counteraction of the local moments of the most nearest neighboring Mn-Mn pair. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：334 / 340

页数：7

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