Thermal conductivity of rare earth zirconate pyrochlore from first principles

Scripta Materialia

Volumn 68, Issue 9, 2013, Pages 727-730

  Feng, Jing ^a,b,c   Xiao, Bing ^d   Zhou, Rong ^a   Pan, Wei ^b  

^a KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b TSINGHUA UNIVERSITY   (China)

^c HARVARD UNIVERSITY   (United States)

^d Tulane University   (United States)

Author keywords

Anisotropy; Ceramics; First principles electron theory; Thermal barrier coating

Indexed keywords

CERAMICS; CRYSTAL PLANES; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES ELECTRON THEORY; HIGH TEMPERATURE; PYROCHLORES; THREE DIMENSIONAL SPACE;

ANISOTROPY; CALCULATIONS; RARE EARTHS; THERMAL BARRIER COATINGS;

THERMAL CONDUCTIVITY;

EID: 84875452867     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2013.01.010     Document Type: Article

References (18)

1. K.E. Sickafus, L. Minervini, R.W. Grimes, J.A. Valdez, M. Ishimaru, and F. Li Science 289 2000 748
2. D.R. Clarke Surf. Coat. Technol. 163 2003 67
3. J. Wu, X. Wei, N.P. Padture, P.G. Klemens, M. Gell, E. Garcia, P. Miranzo, and M.I. Osendi J. Am. Ceram. Soc. 85 2002 3031
4. H. Lehmann, D. Pitzer, G. Pracht, R. Vassen, and D. Stover J. Am. Ceram. Soc. 86 2003 1338
5. J.D. Wang, W. Pan, and Q. Xu Rare Met. Mater. Eng. 34 Suppl. 1 2005 581
6. W. Pan, C.L. Wan, Q. Xu, J.D. Wang, and Z.X. Qu Thermochim. Acta 455 2007 16
7. C.L. Wan, W. Pan, Q. Xu, Y.X. Qin, J.D. Wang, Z.X. Qu, and M.H. Fang Phys. Rev. B 74 2006 144109
8. Q. Xu, Research on Rare-Earth Zirconate Ceramics for Thermal Barrier Coatings, Tsinghua University, 2005.
9. Z. Qu, C. Wan, and W. Pan Chem. Mater. 19 2007 4913
10. M.A. Blanco, E. Francisco, and V. Luana Comput. Phys. Commun. 158 2004 57
11. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi Rev. Mod. Phys. 73 2001 515
12. J. Feng, B. Xiao, C.L. Wan, Z.X. Qu, Z.C. Huang, J.C. Chen, R. Zhou, and W. Pan Acta Mater. 59 2011 1742
13. C. Wan, T.D. Sparks, P. Wei, and D.R. Clarke J. Am. Ceram. Soc. 93 2010 1457
14. G.A. Slack J. Phys. Chem. Solids 34 1973 321
15. K. Brugger J. Appl. Phys. 36 1965 768
16. P. Hohenberg, and W. Kohn Phys. Rev. 136B 1964 864
17. M. Segall, P. Lindan, M. Probert, C. Pickard, P. Hasnip, S. Clark, and M. Payne J. Phys. Condens. Matter. 14 2002 2717
18. J. Feng, X. Ren, X. Wang, R. Zhou, and W. Pan Scr. Mater. 66 2012 41