Calculations of point defects in AlN and GaN; Lattice relaxation effects

被引：4

作者：

Gorczyca, I ^{[1
]}

Christensen, NE ^{[1
]}

Svane, A ^{[1
]}

机构：

[1] UNIV AARHUS,INST PHYS & ASTRON,DK-8000 AARHUS C,DENMARK

来源：

ACTA PHYSICA POLONICA A | 1997年 / 92卷 / 04期

关键词：

D O I：

10.12693/APhysPolA.92.785

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Native defects (vacancies, antisites and interstitials) and substitutional impurities (Mg, Zn, and C) in cubic GaN and AlN are studied by means of ab initio theoretical calculations. We examine the energetic positions of the defect levels and lattice relaxations effects. Whereas small relaxations are found in the case of vacancies, the calculations predict that large atomic displacements are associated with antisites. We also discuss the metastable behavior of the nitrogen antisite.

引用

页码：785 / 788

页数：4

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