Amphoteric behavior of arsenic in HgCdTe

Abstract

The properties of arsenic in HgCdTe are predicted using ab initio calculations and a statistical theory. Predictions on the amphoteric nature of arsenic are in good agreement with experimental results on material growth both by liquid phase epitaxy and molecular beam epitaxy (MBE). The experimentally observed dependence of the arsenic diffusion on mercury partial pressure is also explained by our results. A microscopic model for activating the arsenic as an acceptor is suggested, and requirements of post-MBE-growth activation anneals are identified.