Improved ground-state electronic structure and optical dielectric constants with a semilocal exchange functional
نویسندگان
چکیده
منابع مشابه
Ab–initio study of the electronic and optical traits of Na0.5Bi0.5TiO3 nanostructured thin film
The electronic, and optical properties of rhombohedral Na0.5Bi0.5TiO3nanostructured thin film have been studied by the first–principle approach. Densityfunctional theory (DFT) has been employed to calculate the fundamental properties ofthe layers using full–potential linearized augmented plane–wave (FPLAPW) method. A2×2×1 supercell was constructed with two vacuum slabs o...
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