The study on the electronic structure and optical properties of OsSi_2
OsSi_2电子结构和光学性质的研究

Electronic structure,densities of states and optical properties of orthorhombic OsSi_2 was calculated by the first-principle density function theory pseudopotential method.The calculated results show that OsSi_2 is an indirect semiconductor with the band gap of 0.813 eV,the valence bands of OsSi_2 are mainly composed of Os 5d and Si 3p,the conduction bands are mainly composed of Si 3p,3s as well as Os 5d.The stastic dielectric function ε_1(0)is 15.43,the reflectivity n_0 is 3.93.Furthermore,the dielectric functions,refractivity index,reflectivity,absorption,conductivity and loss function of OsSi_2 are analyzed in terms of the calculated band structure and densities of states.The results offer theoretical data for the design and application of OsSi_2.