Energetic, structural and electronic features of Sn-, Ga-, O-based defect complexes in cubic In2O3

Alexandr I. Cocemasov, Vladimir I. Brinzari, Denis L. Nika

Defect energy formation, lattice distortions and electronic structure of cubic In2O3 with Sn, Ga and O impurities were theoretically investigated using density functional theory. D…