Thermal expansion and conductivity of RE2Sn2O7 (RE = La, Nd, Sm, Gd, Er and Yb) pyrochlores

被引：60
|
作者：
Feng, J. [1 ,2 ,3 ]
Xiao, B. [4 ]
Zhou, R. [1 ]
Pan, W. [2 ]
机构：
[1] Kunming Univ Sci & Technol, Fac Mat Sci & Engn, Kunming 650093, Peoples R China
[2] Tsinghua Univ, Dept Mat Sci & Engn, State Key Lab New Ceram & Fine Proc, Beijing 100084, 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：
SCRIPTA MATERIALIA | 2013年 / 69卷 / 05期
关键词：
Ceramics; Rare earth stannate; Thermal properties; First-principles calculation;
D O I：
10.1016/j.scriptamat.2013.05.030
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The calculated cohesive energies and formation enthalpies of Rare earth stannate (RE2Sn2O7) compounds are in good agreement with the corresponding experimental values. The thermal expansion coefficients (TECs) of rare earth stannates are 7-9 x 10(-6) K-1 at high temperature. The results show that local spin density approximation predicts smaller TECs than the real values. The computed thermal conductivity of RE2Sn2O7 is 1.8-2.5 W (m . K)(-1) at 1273 K using the Slack-Clarke model, indicating that RE2Sn2O7 compounds exhibit good thermal insulating properties at high temperature. Published by Elsevier Ltd. on behalf of Acta Materialia Inc.
引用
收藏
页码：401 / 404
页数：4
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