Lone-Pair Stabilization in Transparent Amorphous Tin Oxides: A Potential Route to p-Type Conduction Pathways

摘要: The electronic and atomic structures of amorphous transparent tin oxides have been investigated by a combination X-ray spectroscopy atomistic calculations. Crystalline SnO is promising p-type oxide semiconductor due to complex lone-pair hybridization that affords both optical transparency despite small band gap spherical s-orbital character at the valence edge. We find these desirable properties (transparency character) are retained upon amorphization disruption layered states structural disorder. explain anomalously large widening necessary maintain in terms stabilization via clustering. Our understanding this mechanism suggests continuous hole conduction pathways along extended lone pair clusters should be possible under certain stoichiometries. Moreover, findings applicable other active semiconductors.