Thermal Properties of Solid Oxide Fuel Cell Perovskite LaCrO3

The effect of temperature on elastic, cohesive and thermal properties of LaCrO3 in orthorhombic, rhombohedral and cubic phases has been investigated using Modified Rigid ion Model (MRIM). We present the elastic constants (C-11, C-12, C-44) and other elastic properties like bulk modulus (B-T), Young's modulus (E) and shear modulus (G). We have computed the specific heat and volume thermal expansion coefficient as a function of temperature (OK <= T <= 2000K). The specific heat results are in reasonable agreement with the available experimental data. A check on thermal stability of this compound is made by computing other properties like Debye temperature (Or), cohesive energy (0). Reststrahlen frequency (v)) and Gruneisen parameter (gamma). The computed properties reproduce well with the available experimental results. To our knowledge some of the properties are reported for the first time.