Theory of Intrinsic Defects in Crystalline GeTe and of Their Role in Free Carrier Transport Novel Materials and Device Research

摘要

We present a study of the electronic structure and formation energies of germanium/tellurium vacancy and antisite defects in germanium telluride. We find that germanium vacancies are the most readily formed defect, independent of Fermi level. Furthermore, we find that, while the ideal crystal is predicted to be a semiconductor, the predicted large densities of germanium vacancies result in partially filled valence band and p-type conductivity.