Monte Carlo simulations were performed to study the defect formation in ZnSe/GaAs heterovalent epitaxy. It was shown that when ZnSe was grown on the GaAs (001) As-rich c(4 x 4) surface, As antisites become the origin of defects such as dislocations, while ZnSe grows in a step-flow manner on the GaAs (110) (1 x 2) surface without any sign of defect production. These results originate from the heterovalency between ZnSe and GaAs and well explain the observations.

Defect Formation in Heterovalent ZnSe/GaAs Epitaxy - Theoretical Study. T.Nakayama, R.Kobayashi, K.Sano, M.Murayama: Physica Status Solidi B, 2002, 229[1], 311-5