Ab initio study of ferromagnetism in Ga1-xCrxN thin films -: art. no. 045435

被引：23
作者：
Wang, Q
Sun, Q
Jena, P
Yu, JZ
Note, R
Kawazoe, Y
机构：
[1] Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA
[2] Tohoku Univ, Mat Res Inst, Sendai, Miyagi 9808577, Japan
来源：
PHYSICAL REVIEW B | 2005年 / 72卷 / 04期
关键词：
D O I：
10.1103/PhysRevB.72.045435
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Electronic structure and magnetic properties of Ga1-xCrxN thin films are studied using the gradient corrected density functional method and a supercell slab model. Calculations are carried out by varying the concentration of doped Cr atoms and the sites they occupy. Cr atoms are found to prefer to reside on the surface sites and cluster around N as Mn atoms do. However, unlike Mn-doped GaN, Cr-doped GaN is found to be ferromagnetic for all concentrations studied. The calculated ferromagnetism is in agreement with recent experimental observations.
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页数：6
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