The TMO family SrVO 3 is the most widely studied material due to their cubic crystal structure at room temperature and high dielectric constant. Cubic SrVO 3 perovskite materials possess unusual and useful electronic and magnetic properties. Transition metal oxides are used in a wide variety of technological applications such as selective oxidation, selective reduction and dehydrogenation. Transition metal oxides (TMO) have always been great strong interest among the research community because of their remarkable physical properties. Keywords: First Principle Calculations, Perovskite, Elastic Properties, Electronic Properties, Optical Properties Finally, the optical properties (reflectivity, dielectric function, refractive index, absorption spectrum, conductivity and energy loss spectrum) have been calculated and discussed. The electronic band structure reveals metallic conductivity. Our calculated results of elastic constants satisfy the structural stability criterion and the ductile/brittle of SrVO 3 is predicted by Pugh’s criterion. Using the energy-strain method, we obtained three independent elastic constants (C 11, C 12 and C 44) and various elasticity parameters such as bulk modulus, Shear modulus, Young’s modulus, B/G, Poisson’s ratio and anisotropy factor. The calculated lattice parameters are in good agreement with the previous experimental and theoretical results. Abstract: The structural, elastic, electronic and optical properties of cubic SrVO 3 perovskite have been investigated using the first principles pseudo-potential plane-wave (PP-PW) method based on the density functional theory (DFT), within the generalized gradient approximation (GGA).
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