Structural, electronic and optical studies of Sr2NiTeO6 double perovskite by first-principle DFT–LDA + U calculation
The structural, electronic and optical properties of monoclinic Sr2NiTeO6 double perovskite have been studied using corrected density functional theory–local density approximation with applying of Hubbard U corrected energy (DFT–LDA + U) method in plane-wave pseudopotential basis. The influence of o...