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- W2531380881 abstract "The structural, elastic, electronic and optical properties of cubic SrVO<sub>3</sub> 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). The calculated lattice parameters are in good agreement with the previous experimental and theoretical results. Using the energy-strain method, we obtained three independent elastic constants (C <sub>11</sub>, C <sub>12</sub> and C <sub>44</sub>) and various elasticity parameters such as bulk modulus, Shear modulus, Young’s modulus, B/G, Poisson’s ratio and anisotropy factor. Our calculated results of elastic constants satisfy the structural stability criterion and the ductile/brittle of SrVO <sub>3</sub> is predicted by Pugh’s criterion. The electronic band structure reveals metallic conductivity. Finally, the optical properties (reflectivity, dielectric function, refractive index, absorption spectrum, conductivity and energy loss spectrum) have been calculated and discussed." @default.
- W2531380881 created "2016-10-21" @default.
- W2531380881 creator A5031905119 @default.
- W2531380881 date "2016-01-01" @default.
- W2531380881 modified "2023-09-26" @default.
- W2531380881 title "The Structural, Elastic, Electronic and Optical Properties of Cubic Perovskite SrVO<sub>3</sub> Compound: An Ab Initio Study" @default.
- W2531380881 doi "https://doi.org/10.11648/j.ijmsa.20160505.14" @default.
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