ROLE OF CL OR I CODOPING IN LI-DOPING ENHANCEMENT IN ZNSE

We propose the doping of Cl or In species into p-type ZnSe crystals do ped with Li, a Zn-substituting species, in order to fabricate low-resi stivity p-type ZnSe crystals, based on ab initio electronic band struc ture calculations. The simultaneous codoping of a Cl or I donor and a Li acceptor enhances Li incorporation in p-type ZnSe crystals due to a strong interaction between donors and accepters with a decrease in th e Madelung energy: resulting in the formation of p-n-p complexes that occupy the nearest-neighbor sites.