Photoluminescence of oxygen-deficient defects in germanium oxides: a quantum chemical study.


The photoabsorption and photoluminescence (PL) properties of the surface E(') center, -GeX(3), and the combined E(')-center-oxygen vacancy, X(3)Ge-GeX(2), defects in substoichiometric germanium oxides have been investigated by high-level ab initio calculations, including complete active space self-consistent field, multireference configuration interaction… (More)