Calculations of Point Defects in AlN and GaN; Lattice Relaxation Effects

• Authors: I. Gorczyca , N.E. Christensen , A. Svane
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

73.61.Ey; 71.55.Eq

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 1997
• Volume: 92
• Issue: 4
• Pages: 785-788

Dates

published

1997-10

Contributors

author

I. Gorczyca

• High Pressure Research Center PAN, Sokołowska 29, 01-142 Warsaw, Poland

author

N.E. Christensen

• Institute of Physics and Astronomy, University of Aarhus, 8000 Aarhus C, Denmark

author

A. Svane

• Institute of Physics and Astronomy, University of Aarhus, 8000 Aarhus C, Denmark