Computational Prediction of an Antimony-Based n-Type Transparent Conducting Oxide: F-Doped Sb₂O₅.

ABSTRACT: Transparent conducting oxides (TCOs) possess a unique combination of optical transparency and electrical conductivity, making them indispensable in optoelectronic applications. However, their heavy dependence on a small number of established materials limits the range of devices that they can support. The discovery and development of additional wide bandgap oxides that can be doped to exhibit metallic-like conductivity are therefore necessary. In this work, we use hybrid density functional theory to identify a binary Sb(V) system, Sb₂O₅, as a promising TCO with high conductivity and transparency when doped with fluorine. We conducted a full point defect analysis, finding F-doped Sb₂O₅ to exhibit degenerate n-type transparent conducting behavior.

SUBMITTER: Li K 

PROVIDER: S-EPMC10976629 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature