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We present calculated, electronic and related properties of wurtzite cadmiumsulfide (w-CdS). Our ab-initio, non-relativistic calculations employed a localdensity functional approximation (LDA) potential and the linear combination ofatomic orbitals (LCAO). Following the Bagayoko, Zhao, and Williams (BZW)method, we solved self-consistently both the Kohn-Sham equation and theequation giving the ground state density in terms of the wave functions of theoccupied states. Our calculated, direct band gap of 2.47 eV, at the point, isin excellent agreement with experiment. So are the calculated density of statesand the electron effective mass. In particular, our results reproduce the peaksin the conduction band density of states, within the experimentaluncertainties.

Local Density Approximation Description of Electronic Properties of Wurtzite Cadmium Sulfide (w-CdS)