Thermodynamic properties of Ln sub(1-x)Sr sub(x)CoO sub(3) (Ln = Pr, Nd, Sm and Dy)

We have investigated the thermodynamic properties of Ln sub(1-x)Sr sub(x)CoO sub(3) (Ln = Pr, Nd, Sm, Dy and 0 less than or equal to x less than or equal to 1) perovskites using modified rigid ion model (MRIM) and a novel atomistic approach of Atoms in Molecules (AIM) theory. The effect of Sr doping...

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Published in:Journal of alloys and compounds 2016-03, Vol.661, p.257-267
Main Authors: Thakur, Rasna, Thakur, Rajesh K, Gaur, N K
Format: Article
Language:English
Subjects:
Debye temperature
Doping
Mathematical models
Neodymium
Perovskites
Specific heat
Thermal expansion
Thermodynamic properties
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Thakur, Rajesh K
Gaur, N K
description We have investigated the thermodynamic properties of Ln sub(1-x)Sr sub(x)CoO sub(3) (Ln = Pr, Nd, Sm, Dy and 0 less than or equal to x less than or equal to 1) perovskites using modified rigid ion model (MRIM) and a novel atomistic approach of Atoms in Molecules (AIM) theory. The effect of Sr doping on lattice specific heat and thermal expansion coefficient as a function of temperature (1 K less than or equal to T less than or equal to 300 K) are reported probably for the first time. The MRIM results on thermal expansion coefficient of Sr doped LnCoO sub(3) (Ln = Pr, Nd, Sm and Dy) suggest that higher Sr doping may not be applicable to solid oxide fuel cell. Besides, we have reported bulk modulus (B), cohesive energy ( phi ), molecular force constant (f), Reststrahlen frequency ( upsilon ), Debye temperature ([thetas] sub(D)), Gruneisen parameter ( gamma ) and specific heat. It is found that the present model has a promise to predict the thermodynamic properties of other perovskites as well.
doi_str_mv 10.1016/j.jallcom.2015.11.053
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The effect of Sr doping on lattice specific heat and thermal expansion coefficient as a function of temperature (1 K less than or equal to T less than or equal to 300 K) are reported probably for the first time. The MRIM results on thermal expansion coefficient of Sr doped LnCoO sub(3) (Ln = Pr, Nd, Sm and Dy) suggest that higher Sr doping may not be applicable to solid oxide fuel cell. Besides, we have reported bulk modulus (B), cohesive energy ( phi ), molecular force constant (f), Reststrahlen frequency ( upsilon ), Debye temperature ([thetas] sub(D)), Gruneisen parameter ( gamma ) and specific heat. 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subjects Debye temperature
Doping
Mathematical models
Neodymium
Perovskites
Specific heat
Thermal expansion
Thermodynamic properties
title Thermodynamic properties of Ln sub(1-x)Sr sub(x)CoO sub(3) (Ln = Pr, Nd, Sm and Dy)
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