Thermal and elastic properties of Sr1-xAxCoO3 (A=Zn and Ho)

We have investigated the elastic and thermal properties for Sr1-xAxCoO3 (A=Zn, Ho, and 0 ≤x ≤0.4) probably for the first time, by using the modified rigid ion model (MRIM). The computed elastic constants (C11, C12, C44) are the first report on them. Using these elastic constants, we have computed other related elastic properties like the Bulk modulus (B), Young's modulus (Y), Shear modulus (G), Poisson's ratio (σ), Lame's parameter (μ, λ), transverse, longitudinal and average wave velocity (υt, υl, υm) and Anisotropy parameter (A). Furthermore, by the elastic stability criteria, we predict that Sr1-xAxCoO3 (A=Zn, Ho, and 0 ≤x ≤0.4) are mechanically stable and belongs to metallically bonding materials. Moreover, the thermodynamic properties such as the thermal expansion coefficient (α), cohesive energy (φ), molecular force constant (f), Reststrahlen frequency (υ), Debye temperature (θ D), and Gruneisen parameter (γ) have also been predicted. Besides, the variations of specific heat with temperature are reported for a wide range. To our knowledge, some of the properties are being reported for the first report on these materials. (orig.)