The electronic spectra of vacancies in ZnS, ZnSe and ZnTe

The electronic spectra of vacancies and their various charged states in cubic ZnS, ZnSe and ZnTe crystals are calculated by the Greenʹs function approach within the localized orbital method. ends in the levels of charged vacancies are determined by taking into consideration the overall charge neutrality condition. The pressure effects and the relaxation along (111) direction on the Zn and Se vacancy levels are also examined. The calculated results can be easily transferred to the calculation of vacancy induced optical properties.