Calculations of Native Defects and Impurities in Cubic GaN Including High Pressure Effects
I. Gorczyca
High Pressure Research Center PAN, Sokołowska 29, 01-142 Warszawa, Poland

A. Svane and Ν.E. Christensen
Institute of Physics, Aarhus University, 8000 Aarhus C, Denmark
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Using the Green-function matrix technique based on the linear muffin-tin orbital method in the atomic-spheres approximation we perform self-consist­ent calculations of the electronic structure for native defects and impurities in cubic GaN. Native defects as N and Ga vacancies and antisites and substi­tutional impurities: Zn, C and Ge in different charge states are investigated. Resulting positions of the defect levels are compared with tight-binding and pseudopotential calculations. High pressure behavior is also studied in com­parison with some other theoretical and experimental data.
DOI: 10.12693/APhysPolA.88.723
PACS numbers: 73.61.Ey, 71.55.Eq