First-principles study of ground- and excited-state properties of MgO , ZnO , and CdO polymorphs

An ab initio pseudopotential method based on density functional theory, generalized gradient corrections to exchange and correlation, and projector-augmented waves is used to investigate structural, energetical, electronic, and optical properties of $\mathrm{MgO}$, $\mathrm{ZnO}$, and $\mathrm{CdO}$... View More