Electronic structure and magnetic coupling properties of Gd-doped AlN: first-principles calculations

被引：7
作者：
Zhang, Y. J. [1 ]
Shi, H. -L. [2 ,3 ]
Wang, S. X. [1 ]
Zhang, P. [2 ]
Li, R. W. [1 ,3 ]
机构：
[1] Beijing Normal Univ, Dept Phys, Beijing 100875, Peoples R China
[2] LCP, Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China
[3] Chinese Acad Sci, Inst Semicond, SKLSM, Beijing 100083, Peoples R China
来源：
EUROPEAN PHYSICAL JOURNAL B | 2010年 / 77卷 / 03期
基金：
中国国家自然科学基金;
关键词：
AB-INITIO; SEMICONDUCTORS; APPROXIMATION;
D O I：
10.1140/epjb/e2010-00273-4
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
In this work, the electronic structure and magnetic coupling properties of Gd doped AlN have been investigated using first-principles method. We found that in the AlN:Gd system, due to the s-f coupling allowed by the symmetry, the exchange splitting of the conduction band is much larger than that of the valence band, which makes the electron-mediated ferromagnetism possible in this material. This property is also confirmed by the energy differences between anti-ferromagnetic and ferromagnetic phase for Al14Gd2N16 with different concentrations of electrons (holes), as well as by the calculated exchange constants. The result indicates that Gd-doped AlN is a promising candidate for the applications in future spintronic devices.
引用
收藏
页码：345 / 349
页数：5
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