HYDROGEN INTERACTION WITH SHALLOW AND DEEP CENTERS IN GAAS

The results of detailed theoretical investigations of the properties o f atomic and diatomic H in GaAs were analyzed with the effort to give a unified picture of the H behavior in this semiconductor. All calcula tions were performed in the pseudopotential density-functional framewo rk using a supercell approach. We studied both shallow impurities (Si and C) and deep point defects (As antisite and Ga vacancy). Generally, a simple scheme may be applied in order to describe the H interaction with shallow impurities, where a key role is played by the amphoteric character of H. More complex mechanisms are involved in the deep impu rity case that are related to new, interesting effects of H incorporat ion in GaAs. (C) 1996 John Wiley & Sons, Inc.