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

页码：401 / 404

页数：4

共 32 条

[1] BAND THEORY AND MOTT INSULATORS - HUBBARD-U INSTEAD OF STONER-I
ANISIMOV, VI
ZAANEN, J
ANDERSEN, OK
[J]. PHYSICAL REVIEW B, 1991, 44 (03): : 943 - 954
[2] [Anonymous], 1999, THERMO PHYS PROPERTI
[3] GIBBS:: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model
Blanco, MA
Francisco, E
Luaña, V
[J]. COMPUTER PHYSICS COMMUNICATIONS, 2004, 158 (01) : 57 - 72
[4] On the Debye temperature in the Slack approximation for an estimation of the thermal conductivity of nonmetallic compounds
Bruls, R
Hintzen, HT
Metselaar, R
[J]. JOURNAL OF APPLIED PHYSICS, 2005, 98 (12)
[5] Ceramic materials for thermal barrier coatings
Cao, XQ
Vassen, R
Stoever, D
[J]. JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2004, 24 (01) : 1 - 10
[6] Materials selection guidelines for low thermal conductivity thermal barrier coatings
Clarke, DR
[J]. SURFACE & COATINGS TECHNOLOGY, 2003, 163 : 67 - 74
[7] Materials design for the next generation thermal barrier coatings
Clarke, DR
Levi, CG
[J]. ANNUAL REVIEW OF MATERIALS RESEARCH, 2003, 33 : 383 - 417
[8] Thermal expansions of Ln2Zr2O7 (Ln = La, Nd, Sm, and Gd) pyrochlore
Feng, J.
Xiao, B.
Zhou, R.
Pan, W.
[J]. JOURNAL OF APPLIED PHYSICS, 2012, 111 (10)
[9] Mechanical properties of rare earth stannate pyrochlores
Feng, J.
Xiao, B.
Qu, Z. X.
Zhou, R.
Pan, W.
[J]. APPLIED PHYSICS LETTERS, 2011, 99 (20)
[10] Electronic structure, mechanical properties and thermal conductivity of Ln2Zr2O7 (Ln = La, Pr, Nd, Sm, Eu and Gd) pyrochlore
Feng, J.
Xiao, B.
Wan, C. L.
Qu, Z. X.
Huang, Z. C.
Chen, J. C.
Zhou, R.
Pan, W.
[J]. ACTA MATERIALIA, 2011, 59 (04) : 1742 - 1760

← 1 2 3 4 →