VALENCE-BAND OFFSET AT THE SI GAP(110) INTERFACE/

We present the results of self-consistent ab initio pseudopotential ca lculations of the valence-band offset at the Si/GaP (110) interface. F or the abrupt interface we find an offset of 0.55 eV including spin-or bit splittings, self-energy corrections, and the effects of atomic rel axation. We also study how much the atomic interdiffusion across the i nterface can modify the offset and attribute to Si-Ga swaps the discre pancy between the commonly accepted experimental value of 0.80 eV and our results for the abrupt interface. (C) 1996 American Institute of P hysics.