First-principles calculations on spin polarization of vacancies in nitride semiconductors

被引：0

作者：

Gohda, Yoshihiro ^{[1
]}

Oshiyama, Atsushi ^{[2
]}

机构：

[1] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan

[2] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan

来源：

PHYSICS OF SEMICONDUCTORS: 30TH INTERNATIONAL CONFERENCE ON THE PHYSICS OF SEMICONDUCTORS | 2011年 / 1399卷

关键词：

First-principles calculations; Vacancy; Spin polarization; Group-III nitrides; AUGMENTED-WAVE METHOD;

D O I：

10.1063/1.3666268

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

We report first-principles calculations on spin polarization of cation vacancies in group-III nitrides: GaN, AlN, and In0.5Ga0.5N. In all the cases examined, the charge state of the vacancy universally determines the magnetic moment of the cation vacancy regardless of the cation composition. In the neutral charge state, cation vacancies exhibit spin polarization with the magnetic moment of 3 Bohr magnetons. The vacancy states in the band gap are more anisotropic in the wurtzite structure than in the zinc-blende structure.

引用

页数：2

共 9 条

[1] PROJECTOR AUGMENTED-WAVE METHOD [J].