Impurity-hydrogen complexes in β-Ga2O3: Hydrogenation of shallow donors vs deep acceptors

Abstract

Substitutional impurities in β-Ga2O3 are used to make the material n-type or semi-insulating. Several O–H and O–D vibrational lines for complexes that involve impurities that are shallow donors and deep acceptors have been reported recently. The present article compares and contrasts the vibrational properties of complexes that involve shallow donors (OD-Si and OD-Ge) with complexes that involve deep acceptors (OD-Fe and OD-Mg). Theoretical analysis suggests that these results arise from defect complexes based on a shifted configuration of the Ga(1) vacancy with a trapped H atom and a nearby impurity.