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

被引：47
|
作者：
Feng, J. [1 ,2 ,3 ]
Xiao, B. [4 ]
Zhou, R. [2 ]
Pan, W. [1 ]
机构：
[1] Tsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, Peoples R China
[2] Kunming Univ Sci & Technol, Educ Minist China, Key Lab Adv Mat Precious Nonferrous Met, Kunming 650093, Peoples R China
[3] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA
[4] Tulane Univ, Sch Sci & Engn, Dept Phys & Engn Phys, New Orleans, LA 70118 USA
来源：
JOURNAL OF APPLIED PHYSICS | 2012年 / 111卷 / 10期
关键词：
EARTH-OXIDE PYROCHLORES; CONDUCTIVITY; SIMULATION; TI;
D O I：
10.1063/1.4722174
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The thermal expansions of the rare earth zirconate (Ln(2)Zr(2)O(7), 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 C-v and C-p 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 Ln(2)Zr(2)O(7) compounds, the volumetric coefficient is increased linearly by increasing the temperature. The calculations are in good agreement with the experiments. (C) 2012 American Institute of Physics. Pittp://dx.doi.org/10.1063/1.4722174]
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页数：4
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