Electronic Structure and Transport Properties of La2Zr2O7 Pyrochlore from First Principles-Reference-Cited by-同舟云学术

Electronic Structure and Transport Properties of La₂Zr₂O₇ Pyrochlore from First Principles

Published:2018-08 Issue: Volume:281 Page:767-773
ISSN:1662-9779
Container-title:Solid State Phenomena
language:
Short-container-title:SSP

Author:

Li Zheng¹,Pan Wei¹

Affiliation:

1. Tsinghua University

Abstract

The first principle calculation as well as the Boltzmann transport calculation have been employed to study the high temperature electronic transport properties of pyrochlore La2Zr2O7. Combing constant scattering time approximation and experiment data, the electronic thermal conductivity and electron concentration are calculated as a function of temperature. The electronic thermal conductivity is 2.6×10-4 W/(m.s) at 1270K and 7.2×10-3 W/(m.s) at 1770K. The electron concentration increase rapidly with when the temperature is above 1600K.

Publisher

Trans Tech Publications, Ltd.

Subject

Condensed Matter Physics,General Materials Science,Atomic and Molecular Physics, and Optics

Link

https://www.scientific.net/SSP.281.767.pdf

Reference31 articles.

1. C.G. Levi, Emerging materials and processes for thermal barrier systems, Current Opinion in Solid State and Materials Science 8(1) (2004) 77-91.

2. X.K. Sun, G.H. Wang, S.C. Zhang, H.R. Sun, K. Fang, Y.F. Chen, Preparation and Microstructure of (La0.5Sm0.5)2(Zr0.7Ce0.3)2O7 Ceramics Prepared by Chemical Coprecipitation Method, Key Engineering Materials 697 (2016) 89-92.

3. J.L. Shi, Z.X. Qu, Q. Wang, Influence of Temperature on the Order-Disorder Transition in Gd2Zr2O7, Key Engineering Materials 697 (2016) 386-389.

4. J. Wu, X. Wei, N.P. Padture, P.G. Klemens, M. Gell, E. García, P. Miranzo, M.I. Osendi, Low-Thermal-Conductivity Rare-Earth Zirconates for Potential Thermal-Barrier-Coating Applications, Journal of the American Ceramic Society 85(12) (2002).

5. N.P. Bansal, D. Zhu, Effects of doping on thermal conductivity of pyrochlore oxides for advanced thermal barrier coatings, Materials Science and Engineering: A 459(1) (2007) 192-195.

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