The elastic, electronic and optic investigation of CrX (X= N, P, As, Sb) compounds by using ab initio method

In this study, by being added spin, elastic, electronic and optic properties of some binary CrX (X= N, P, As, Sb) compounds are calculated by using ab initio method which is based on ultrasoft pseudopotential method and density functional theory. For these compounds, the lattice parameters, band structures, elastic constants, Young and Shear moduli, Poisson ratios, density of state, dielectric function and the other optical properties are calculated. The obtained results are compared with the available theoretical data.Key Words: Ab initio method, CrN, CrP, CrAs, CrSbpseudopotential, elastic properties, lattice parameters, electronic structure,optical properties