The effects of hydrostatic pressure upon the formation energy and electronic level positions of cation vacancies were examined by means of ab initio calculations, using a super-cell approach and the full-potential linear muffin-tin orbital method. Atomic relaxations were fully taken into account. Substantial differences were revealed in the pressure behavior of the defect level positions and formation energies for the cation vacancies in these nitrides. The pressure effect was rather weak for the vacancy and the antisite in the III-V nitrides.

Influence of Hydrostatic Pressure on Cation Vacancies in GaN, AlN and GaAs. I.Gorczyca, N.E.Christensen, A.Svane: Physical Review B, 2002, 66[7], 075210 (5pp)