Abstract:The electronic and optical properties of the cubic zinc-blende (ZB) structured filled tetrahedral semiconductor α-LiZnN under pressure are investigated by using ab initio plane wave pseudopotential density functional theory method within the generalized gradient approximation (GGA). The electronic band structure and the density of state under pressure are systematically described. The basic optical constants, including the reflection and absorption spectra, the energy-loss function, the complex refractive inde… Show more
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