Monte Carlo simulation of ZnSe/GaAs heterovalent epitaxy

Heteropitaxy of ZnSe on GaAs As-rich surface is investigated by conventional growth simulation based on the interatomic bonding energy. The model takes into account both the surface-atom dimerization and the electron transfer between surface dangling bonds, Ga-Se donor bonds and Zn-As acceptor bonds. It is shown that, due to the heterovalency between ZnSe and GaAs, antisites and vacant defect structures are produced at the interface and these defects are suppressed when Zn atoms are first supplied on the GaAs surface. These results are in good agreement with experimantal observations.