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Thermal expansions of Ln2Zr2O7 (Ln = La, Nd, Sm, and Gd) pyrochlore

Authors :
Wei Pan
Jing Feng
Rong Zhou
Bing Xiao
Source :
Journal of Applied Physics. 111:103535
Publication Year :
2012
Publisher :
AIP Publishing, 2012.

Abstract

The thermal expansions of the rare earth zirconate (Ln2Zr2O7, Ln = La, Nd, Sm, and Gd) pyrochlore were studied by the Debye and quasi harmonic approximation combined with the first principles calculations. The difference between CV and CP was obtained. The temperature dependence of thermal expansions is mainly caused by the restoration of thermal energy due to phonon excitations at relatively a low temperature. When the temperature is much higher than Debye temperature, i.e., above 600 K for Ln2Zr2O7 compounds, the volumetric coefficient is increased linearly by increasing the temperature. The calculations are in good agreement with the experiments.

Details

ISSN :
10897550 and 00218979
Volume :
111
Database :
OpenAIRE
Journal :
Journal of Applied Physics
Accession number :
edsair.doi...........073a5f718a3209ab2e382a04e4c65a40
Full Text :
https://doi.org/10.1063/1.4722174