Acceptor doping in ZnSe versus ZnTe

摘要: It is a long‐standing puzzle that ZnSe difficult to dope p type, while ZnTe—which very similar ZnSe—is easily doped type. We report ab initio calculations which show the solubilities of Li and Na acceptors are much greater in ZnTe than same ZnSe. trace origin this difference bonding properties with neighboring chalcogens. Our results also explain experimentally observed dependence on dopant concentration dislocation density p‐type epilayers grown GaAs.