Abstract

We have investigated the thermodynamic properties of Y1-xCaxCoO3 (0.0≤x≤0.1) perovskites by means of a modified rigid ion model (MRIM). The variations of specific heat at wide temperatures 1 K ≤ T ≤ 1000 K are reported. Also, the effect of lattice distortions on the elastic and thermal properties of pure and Ca doped cobaltates has been studied by an atomistic approach. Besides, we have reported bulk modulus (B), cohesive energy (ϕ), molecular force constant (f), Reststrahlen frequency (υ), Debye temperature (θ D ), Gruneisen parameter (γ) and specific heat (C). It is found that the present model has a promise to predict the thermodynamic properties of other perovskites as well.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.