Thermophysical properties of Pr₁₋ₓCaₓCoO₃
2012
Thakur, Rasna | Thakur, Rajesh K. | Gaur, N.K.
In the present paper, the thermophysical properties of PrCoO₃ cobaltates is mapped here with reference to the changed local environment at A-site due to calcium doping for the first time using Rigid Ion Model (RIM). The specific heat and there by thermal expansion for temperature (1K≤T≤1000K) of Pr₁₋ₓCaₓCoO₃ (x=0.0–0.5) are presented. The trends of variation of our computed results on specific heat with temperature are in more or less similar with corresponding experimental data for almost all the compositions (x) of Pr₁₋ₓCaₓCoO₃. Strong electron–phonon interactions are present in these compounds which causes the variation of the lattice specific heat (Cᵥ₍ₗₐₜₜᵢcₑ₎) with cation doping of varying size and valence. In addition, we have computed the thermal expansion (α), bulk modulus (B), cohesive energy (ϕ), molecular force constant (ƒ), and Restsrahalen frequency (υ) whose results are discussed in detail.
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