Elastic and thermodynamic properties of AVO3 (A=Sr, Pb) perovskites

We have investigated the elastic and thermodynamic properties for the perovskite type metavanadate SrVO3 and the multiferroic PbVO3, probably for the first time by the means of a Modified Rigid Ion Model (MRIM). We present the elastic constants (C-11, C-12, C-44) and other elastic properties like Bulk modulus (B), Young's modulus (E), shear modulus (G), Poisson's ratio (sigma) and wave velocity (nu(l), nu(s), nu(m)). Besides we have reported the thermodynamic properties molecular force constant (f), Reststrahlen frequency (nu), cohesive energy (phi), Debye temperature (theta(D)) and Gruneisen parameter (gamma). We have also computed the variation of heat capacity (C-P) and there by volume thermal expansion coefficient (alpha) in a wide temperature range. We found that the computed properties reproduce well with the available data in literature. To our knowledge some of the properties are reported for the first time. (C) 2011 Elsevier B.V. All rights reserved.