Thermodynamic properties of La{sub 1−x}A{sub x}CoO₃ (A=K, Cd, Pr and Nd)
- Department of Physics, Barkatullah University, Bhopal 462026 (India)
We have calculated the thermal and allied properties of La{sub 1–x}A{sub x}CoO₃ (A=K, Cd, Pr, Nd and 0≤x≤1) as a function of temperature 1 K≤T≤300 K for the first time using Modified Rigid Ion Model (MRIM). The calculated bulk modulus, specific heat, thermal expansion and other thermodynamic properties obtained from MRIM have presented proper interpretation of the experimental data, for monovalent (K⁺), divalent (Cd₂⁺) and trivalent (Pr³⁺ and Nd³⁺) ion-doped LaCoO₃. In addition, the results on the cohesive energy (Φ), molecular force constant (f), Reststrahlen frequency (υ), Debye temperature (θ}) and Gruneisen parameter (γ) are also discussed. - Graphical abstract: Substitution to trivalent La³⁺ site by K⁺ ions increase the thermal expansion (α) whereas Cd²⁺, Pr³⁺ and Nd³⁺ results in decrease of α in La{sub 1–x}A{sub x}CoO₃₋ (A=K, Cd, Pr, Nd). Highlights: • Probably the first report on the specific heat and thermal expansion in La{sub 1–x}A{sub x}CoO₃. • Thermal properties are computed using the MRIM probably for the first time. • Effect of lattice distortions on bulk modulus and thermal properties is presented. • The negative values of cohesive energy show the stability of these compounds.
- OSTI ID:
- 22306274
- Journal Information:
- Journal of Solid State Chemistry, Vol. 201; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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