most citedElectronic and Band Structure Calculation of Wurtzite CdS Using GGA and GGA+U functionals

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cond-mat.mtrl-sci2021★ 22 cited

Electronic and Band Structure Calculation of Wurtzite CdS Using GGA and GGA+U functionals

Ankan Biswas, S. R. Meher, Deepak K. Kaushik

The wurtzite (wz) structure of CdS is analyzed using density functional theory within the generalized gradient approximation (GGA) and Hubbard correction (GGA+U). The total energy…