Full Length Research Paper
Abstract
Using the first principle plane-wave pseudo potential method, a systematic investigation on electronic and optical properties of ZnS with and without La-doping has been performed. Calculation results show that La-doping narrows the band gap of ZnS systems and La doped ZnS system changes from semiconductor into metal through the Mott transition. Moreover, with La-doping increasing, the decrease of absorption coefficient and redshift of absorption spectra are obtained. Absorption spectra of pure ZnS and La-doped ZnS are in good agreement with the experimental results.
Key words: La-doped ZnS, optical properties, electronic properties, first-principles calculations.
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