Investigation of the electronic structure of substitution defects in the α-ZnP2 with the recursion method

 
N.Yu.Pavlova,
  

I. M. Frantsevich Institute for Problems of Materials Science of the NAS of Ukraine, Krzhizhanovsky str., 3, Kyiv, 03142, Ukraine
Mathematical Models and Computing Experiment in Material Science - Kiev: Frantsevich Institute for Problems of Materials Science NASU, 2011, #13
http://www.materials.kiev.ua/article/516

Abstract

Effect of substitution of atom P with atoms O, N and Si on the electronic structure of α-ZnP2 is studied with the recursion method. There ware found additional energy levels in the forbidden zone of α-ZnP2 and determined their nature


ELECTRONIC STRUCTURE, RECURSION METHOD, ZINC DIPHOSPHIDE