Column V acceptors in ZnSe: Theory and experiment

摘要: First‐principles pseudopotential calculations are used in conjunction with extensive experimental data on P and As‐derived acceptor states ZnSe to develop a microscopic theory of their atomic electronic properties. A structural model that explains the presence both shallow deep states, thermal optical quenching photoluminescence lines, strong C3v symmetry electron‐spin‐resonance (ESR) active state is derived. The primary result neutral possesses two configurations: metastable effective‐mass small lattice relaxation labeled a0, A0 large distortion which responsible for most observed properties acceptors ZnSe. Nitrogen impurities proposed give rise either or large‐lattice‐relaxed limits. Extension results ZnTe discussed.