P-Type Doping of the Group V Elements in CuInS 2

Abstract

We have studied the electronic structures of p-type doped CuIn(S0.9375V0.0625)2 (V=N, P, As, Sb or Bi) based on ab-initio electronic band structure calculations using the augmented spherical wave (ASW) method. We determined that P and Sb atoms are extremely suitable dopants which can be substituted for S atoms in p-type doped CuInS2 crystals with lower resistivity. On the other hand, p-type CuInS2 crystals doped with N or Bi had a higher resistivity than those doped with P or Sb.