Calculation of the thermal conductivity of L2SrAl2O7 (L = La, Nd, Sm, Eu, Gd, Dy)

被引：37

作者：

Feng, Jing ^{[1
,2
]}

Wan, Chunlei ^{[1
]}

Xiao, Bing ^{[3
]}

Zhou, Rong ^{[2
]}

Pan, Wei ^{[1
]}

Clarke, David R. ^{[4
]}

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] Tulane Univ, Sch Sci & Engn, Dept Phys, New Orleans, LA 70118 USA

[4] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA

来源：

PHYSICAL REVIEW B | 2011年 / 84卷 / 02期

基金：

中国国家自然科学基金; 美国国家科学基金会;

关键词：

BARRIER COATINGS; EXPANSION; STABILITY; STIFFNESS; TBCS;

D O I：

10.1103/PhysRevB.84.024302

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density functional perturbation theory, combined with quasi-harmonic approximation theory and the Debye theory, has been used to calculate the thermal conductivity of the double-perovskite perovskite slab-rocksalt layer oxide compounds L2SrAl2O7 (L = La, Nd, Sm, Eu, Gd, and Dy), a promising class of high-temperature thermal insulators. The predicted properties are compared with experimental data and show excellent agreement from room temperature up to 1000 degrees C. This indicates that the methodology is an effective approach to calculating the thermal conductivity of complex, defect-free crystal structures.

引用

页数：6

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