Structural, electronic and optical properties of Sr2SiO4 doped with Eu2+and Dy3+: A first principle study

Abstract

Ab-initio calculation use to study the band gap, electronic structure and optical properties of orthorhombic structure of pure Sr2SiO4 and doped with Eu2+ and Dy3+ phosphors. Our calculation is based on density functional theory (DFT) her used GGA + U approaches with SIESTA code. In order to explore the details electronic properties find their band structure, projected density of state, density of state of these systems are performed. Studies the optical properties are shown in dielectric function, refractive index, reflectivity and absorption coefficient are also performed in ambient conditions energy between 0 and 20 eV.