Vacancies in wurtzite GaN and AlN

被引：95

作者：

Laaksonen, K. ^{[1
]}

Ganchenkova, M. G. ^{[1
]}

Nieminen, R. M. ^{[1
]}

机构：

[1] Helsinki Univ Technol, Phys Lab, FI-02015 Espoo, Finland

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2009年 / 21卷 / 01期

基金：

芬兰科学院;

关键词：

NITROGEN-VACANCY; ALUMINUM NITRIDE; DEFECTS;

D O I：

10.1088/0953-8984/21/1/015803

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Vacancies in wurtzite GaN and AlN are studied using a computational method which is based on the density functional theory (DFT) and takes into account the errors arising from use of finite-sized supercells and the DFT band gap underestimation. Negatively charged N vacancies in GaN and AlN are found to be stable, with formation energies similar to and higher than those of Ga and Al vacancies in n-type material under Ga- and Al-rich growth conditions, respectively. The localization and energies of the defect levels close to the computational conduction band edge are considered in detail.

引用

页数：6

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