Comment on 'Intrinsic n-type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In_2O_3, SnO_2, and ZnO'

摘要

The origin of n-type conductivity in nominally undoped transparent conducting oxides was addressed in a recent Letter [1]. Based on hybrid-functional calculations, Agoston et al. [1] predict shallow donor levels for oxygen vacancies (V_o) in In_2O_3 and SnO_2, thereby contradicting earlier theoretical work [2]. We show here that correct interpretation of the hybrid-functional results and consideration of quasiparticle energy corrections lead to the conclusion that V_o is a deep donor, unlikely to release free electrons at room temperature.