Thermodynamic quantities and defect equilibrium in La{sub 2-x}Sr{sub x}NiO{sub 4+{delta}}

Journal Article · Fri May 15 00:00:00 EDT 2009 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2009.02.008· OSTI ID:21370387

Nakamura, Takashi ^[1]; Yashiro, Keiji; Sato, Kazuhisa; Mizusaki, Junichiro ^[1]

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1. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1, Katahira, Aoba-Ku, Sendai 980-8577 (Japan)

In order to elucidate the relation between thermodynamic quantities, the defect structure, and the defect equilibrium in La{sub 2-x}Sr{sub x}NiO{sub 4+{delta}}, statistical thermodynamic calculation is carried out and calculated results are compared to those obtained from experimental data. Partial molar enthalpy of oxygen and partial molar entropy of oxygen are obtained from delta-P(O{sub 2})-T relation by using Gibbs-Helmholtz equation. Statistical thermodynamic model is derived from defect equilibrium models proposed before by authors, localized electron model and delocalized electron model which could well explain the variation of oxygen content of La{sub 2-x}Sr{sub x}NiO{sub 4+{delta}}. Although assumed defect species and their equilibrium are different, the results of thermodynamic calculation by localized electron model and delocalized electron model show minor difference. Calculated results by the both models agree with the thermodynamic quantities obtained from oxygen nonstoichiometry of La{sub 2-x}Sr{sub x}NiO{sub 4+{delta}}. - Graphical abstract: In order to elucidate the relation between thermodynamic quantities, the defect structure, and the defect equilibrium in La{sub 2-x}Sr{sub x}NiO{sub 4+{delta}}, statistics thermodynamic calculation is carried out and calculated results are compared to those obtained from experimental data.

• OSTI ID: 21370387
• Journal Information: Journal of Solid State Chemistry, Vol. 182, Issue 5; Other Information: DOI: 10.1016/j.jssc.2009.02.008; PII: S0022-4596(09)00064-4; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

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