Earlier experiments had determined that the Ga and Sb diffusivities in GaSb were similar whereas recent, more precise, studies demonstrated that Ga diffused up to 3 orders of magnitude faster than Sb. In the present study, using electronic structure calculations, the concentrations and migration enthalpy barriers of important defects in GaSb were predicted. It was predicted that the asymmetrical self-diffusion in GaSb was due to an insufficient concentration of the point defects that could facilitate Sb transport. The results were in excellent agreement with recent experimental evidence and theoretical studies of GaSb and related materials.

Concentration of Intrinsic Defects and Self-Diffusion in GaSb. A.Chroneos, H.Bracht: Journal of Applied Physics, 2008, 104[9], 093714