Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN: First-principles calculations

被引：79
作者：
Gohda, Y.
Oshiyama, Atsushi
机构：
[1] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan
[2] Japan Sci & Technol Agcy, CREST, Tokyo 1020075, Japan
来源：
PHYSICAL REVIEW B | 2008年 / 78卷 / 16期
关键词：
D O I：
10.1103/PhysRevB.78.161201
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We report total-energy electronic-structure calculations based on density-functional theory that clarify magnetism of Gd-doped GaN. We find that Ga vacancies with the magnetic moment of 3 mu(B) formed upon Gd doping interact ferromagnetically with each other and thus cause gigantic magnetic moments per Gd atom. Our detailed analyses are indicative of intrinsic ferromagnetism due to cation vacancies rather than magnetic dopants in nitride semiconductors.
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页数：4
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