Thermal expansion and conductivity of RE2Sn2O 7 (RE = La, Nd, Sm, Gd, Er and Yb) pyrochlores

J. Feng; B. Xiao; R. Zhou; W. Pan

doi:10.1016/j.scriptamat.2013.05.030

Thermal expansion and conductivity of RE₂Sn₂O ₇ (RE = La, Nd, Sm, Gd, Er and Yb) pyrochlores

J. Feng
, B. Xiao
, R. Zhou
, W. Pan

Kunming University of Science and Technology
Tsinghua University
Harvard University
Tulane University

科研成果: 期刊稿件 › 文章 › 同行评审

75 引用（Scopus）

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 × 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.

源语言	英语
页（从-至）	401-404
页数	4
期刊	Scripta Materialia
卷	69
期	5
DOI	https://doi.org/10.1016/j.scriptamat.2013.05.030
出版状态	已出版 - 9月 2013
已对外发布	是

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@article{12045577b9a54a50baf99975e49eb7c3,

title = "Thermal expansion and conductivity of RE2Sn2O 7 (RE = La, Nd, Sm, Gd, Er and Yb) pyrochlores",

abstract = "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 × 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.",

keywords = "Ceramics, First-principles calculation, Rare earth stannate, Thermal properties",

author = "J. Feng and B. Xiao and R. Zhou and W. Pan",

year = "2013",

month = sep,

doi = "10.1016/j.scriptamat.2013.05.030",

language = "英语",

volume = "69",

pages = "401--404",

journal = "Scripta Materialia",

issn = "1359-6462",

publisher = "Acta Materialia Inc",

number = "5",

}

TY - JOUR

T1 - Thermal expansion and conductivity of RE2Sn2O 7 (RE = La, Nd, Sm, Gd, Er and Yb) pyrochlores

AU - Feng, J.

AU - Xiao, B.

AU - Zhou, R.

AU - Pan, W.

PY - 2013/9

Y1 - 2013/9

N2 - 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 × 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.

AB - 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 × 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.

KW - Ceramics

KW - First-principles calculation

KW - Rare earth stannate

KW - Thermal properties

UR - https://www.scopus.com/pages/publications/84879882683

U2 - 10.1016/j.scriptamat.2013.05.030

DO - 10.1016/j.scriptamat.2013.05.030

M3 - 文章

AN - SCOPUS:84879882683

SN - 1359-6462

VL - 69

SP - 401

EP - 404

JO - Scripta Materialia

JF - Scripta Materialia

IS - 5

ER -

Thermal expansion and conductivity of RE2Sn2O 7 (RE = La, Nd, Sm, Gd, Er and Yb) pyrochlores

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Thermal expansion and conductivity of RE₂Sn₂O ₇ (RE = La, Nd, Sm, Gd, Er and Yb) pyrochlores