The defect structure of CuInS2. part I: Intrinsic defects

Combining the studies of electrical, photoluminescence and stoichiometric analyses, the defect structure of undoped CuInS2 is revealed. For a multilevel system such as CuInS2, the ionization energies were determined to be 0.038, 0.068 and 0.145eV for the sulfur vacancy, indium interstitial and indium occupying the copper vacancy, respectively. A defect model based on deviation from the ideal chemical formula was developed to illustrate the self-compensation effects, in which "quantitative" investigations of the structural defects in undoped CuInS2 crystals are provided.