Half-metallic p-electron ferromagnetism in alkaline earth doped AlAs: A first-principles calculation

被引：26
|
作者：
Zhao, Yong-Hong [1 ]
Li, Yong-Feng [2 ]
Liu, Yong [3 ]
机构：
[1] Sichuan Normal Univ, Coll Phys & Elect Engn, Chengdu 610068, Peoples R China
[2] Inner Mongolia Univ Sci & Technol, Sch Math Phys & Biol Engn, Baotou 014010, Peoples R China
[3] Yanshan Univ, Coll Sci, Qinhuangdao 066004, Peoples R China
来源：
APPLIED PHYSICS LETTERS | 2012年 / 100卷 / 09期
基金：
中国国家自然科学基金;
关键词：
ab initio calculations; aluminium compounds; antiferromagnetic materials; arsenic compounds; calcium; ferromagnetic materials; III-V semiconductors; magnetic moments; semimagnetic semiconductors; strontium; SEMICONDUCTORS; SPIN; BAND;
D O I：
10.1063/1.3692591
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We investigated the p-electron ferromagnetism in alkaline earth doped AlAs by using first-principles calculations. The modified Becke and Johnson potential is used to give a much more reasonable semiconductor gap. Our results demonstrate that ferromagnetic phase is always energetically favorable than the antiferromagnetic and nonmagnetic ones for all considered compounds. Magnetic moments are mainly attributed to the partly filled anionic p states. Especially, half-metallic ferromagnetism has been obtained for Ca- and Sr-doped AlAs, which may be promising for spintronic applications. The calculated results are also useful for understanding of the origin of ferromagnetism in diluted magnetic semiconductors. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692591]
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页数：3
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