Anisotropy in elasticity and thermal conductivity of monazite-type REPO4 (RE = La, Ce, Nd, Sm, Eu and Gd) from first-principles calculations

Acta Materialia

Volumn 61, Issue 19, 2013, Pages 7364-7383

  Feng, J ^a,b,c   Xiao, B ^d   Zhou, R ^c   Pan, W ^a  

^a TSINGHUA UNIVERSITY   (China)

^b HARVARD UNIVERSITY   (United States)

^c KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^d TEMPLE UNIVERSITY   (United States)

Author keywords

Ceramics; First principles calculations; Mechanical properties; Monoclinic; Thermal properties

Indexed keywords

ANISOTROPIC PROPERTY; CERAMICS; CHRISTOFFEL EQUATION; FIRST-PRINCIPLES CALCULATION; LINEAR THERMAL EXPANSION COEFFICIENTS; MONOCLINIC; MONOCLINIC SYMMETRY; THEORETICAL CALCULATIONS;

ANISOTROPY; CALCULATIONS; ELASTIC MODULI; ELASTICITY; EXPERIMENTS; MECHANICAL PROPERTIES; MONAZITE; PHOSPHATE MINERALS; SILICATE MINERALS; STRESSES; THERMODYNAMIC PROPERTIES;

THERMAL CONDUCTIVITY;

EID: 84885584283     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2013.08.043     Document Type: Article

References (66)

1. N.P. Padture, M. Gell, and E.H. Jordan Science 296 2002 280
2. D.R. Clarke, and C.G. Levi Annu Rev Mater Res 33 2003 383
3. W. Pan, S.R. Phillpot, C.L. Wan, A. Chernatynskiy, and Z.X. Qu MRS Bull 37 2012 917
4. C.G. Levi Curr Opin Solid State Mater 8 2004 77
5. Z. Wang, A. Kulkarni, S. Deshpande, T. Nakamura, and H. Herman Acta Mater 51 2003 5319
6. X.Q. Cao, R. Vassen, and D. Stoever J Eur Ceram Soc 24 2004 1
7. S. Raghavan, H. Wang, W.D. Porter, R.B. Dinwiddie, and M.J. Mayo Acta Mater 49 2001 169
8. Y. Shen, R.M. Leckie, C.G. Levi, and D.R. Clarke Acta Mater 58 2010 4424
9. J. Feng, X. Ren, X. Wang, R. Zhou, and W. Pan Scripta Mater 66 2012 41
10. D.R. Clarke Surf Coat Technol 163 2003 67
11. D.R. Clarke, and S.R. Phillpot Mater Today 8 2005 22
12. J. Nicholls MRS Bull 28 2003 659
13. D.R. Clarke, M. Oechsner, and N.P. Padture MRS Bull 37 2012 891
14. A.B. Du, C.L. Wan, Z.X. Qu, and W. Pan J Am Ceram Soc 92 2009 2687
15. Y. Hikichi, T. Ota, K. Daimon, T. Hattori, and M. Mizuno J Am Ceram Soc 81 1998 2216
16. N. Clavier, R. Podor, and N. Dacheux J Eur Ceram Soc 31 2011 941
17. W. Min, K. Daimon, T. Matsubara, and Y. Hikichi Mater Res Bull 37 2002 1107
18. J.B. Davis, D.B. Marshall, R.M. Housley, and P. Morgan J Am Ceram Soc 81 1998 2169
19. R.S. Hay, and D.B. Marshall Acta Mater 51 2003 5235
20. C. Thiriet, R. Konings, P. Javorsky, N. Magnani, and F. Wastin J Chem Thermodyn 37 2005 131
21. K. Popa, F. Jutier, F. Wastin, and R. Konings J Chem Thermodyn 38 2006 1306
22. K. Popa DSOB J Chem Thermodyn 38 2006 825
23. K. Popa, and R. Konings Thermochim Acta 445 2006 49
24. S.V. Ushakov, K.B. Helean, A. Navrotsky, and L.A. Boatner J Mater Res 16 2001 2623
25. R. Lacomba-Perales, D. Errandonea, Y. Meng, and M. Bettinelli Phys Rev B 81 2010 064113
26. H.Y. Li, S.Y. Zhang, S.H. Zhou, and X.Q. Cao Inorg Chem 48 2009 4542
27. D.H. Kuo, and W.M. Kriven Mater Sci Eng A 210 1996 123
28. P. Hohenberg, and W. Kohn Phys Rev 136 1964 B864
29. M. Segall, P. Lindan, M. Probert, C. Pickard, P. Hasnip, and S. Clark J Phys Condens Matter 14 2002 2717
30. V.I. Anisimov, J. Zaanen, and O.K. Andersen Phys Rev B 44 1991 943
31. J. Feng, B. Xiao, C.L. Wan, Z.X. Qu, Z.C. Huang, and J.C. Chen Acta Mater 59 2011 1742
32. P. Ravindran, L. Fast, P.A. Korzhavyi, B. Johansson, J. Wills, and O. Eriksson J Appl Phys 84 1998 4891
33. J.J. Zhao, J.M. Winey, and Y.M. Gupta Phys Rev B 75 2007 094105
34. J. Feng, B. Xiao, Z.X. Qu, R. Zhou, and W. Pan Appl Phys Lett 99 2011 201909
35. J. Feng, B. Xiao, R. Zhou, W. Pan, and D.R. Clarke Acta Mater 60 2012 3380
36. D. Bregiroux, S. Lucas, E. Champion, F. Audubert, and D. Bernache-Assollant J Eur Ceram Soc 26 2006 279
37. J.Y. Wang, Y.C. Zhou, and Z.J. Lin Appl Phys Lett 87 2005 051902
38. Z.J. Wu, E.J. Zhao, H.P. Xiang, X.F. Hao, X.J. Liu, and J. Meng Phys Rev B 76 2007 054115
39. H. Mohapatra, and C.J. Eckhardt J Phys Chem B 112 2008 2293
40. W.P. Mason Phys Rev 70 1946 705
41. H. Kuppers Acta Cryst A 29 1973 415
42. M.V. Nevitt, S.K. Chan, J.Z. Liu, M.H. Grimsditch, and Y. Fang Physica B 150 1988 230
43. W. Pabst, G. Ticha, and E. Gregorova Ceram-Silikaty 48 2004 41
44. D.H. Chung, and W.R. Buessem J Appl Phys 38 1967 2535
45. D.H. Chung, and W.R. Buessem J Appl Phys 39 1968 2777
46. J. Feng, B. Xiao, R. Zhou, and W. Pan J Appl Phys 111 2012 103535
47. X. Jiang, J. Zhao, and X. Jiang Comput Mater Sci 50 2011 2287
48. J.B. Davis, R.S. Hay, D.B. Marshall, P. Morgan, and A. Sayir J Am Ceram Soc 86 2003 305
49. B. Xiao, J. Feng, C.T. Zhou, Y.H. Jiang, and R. Zhou J Appl Phys 109 2011 023507
50. Y. He, R.B. Schwarz, A. Migliori, and S.H. Whang J Mater Res 10 1995 1187
51. G. Grimvall Thermo physical properties of materials 1999 North Holland Amsterdam
52. K. Lau, and A.K. McCurdy Phys Rev B 58 1998 8980
53. D. Kim, S. Shang, and Z.K. Liu Acta Mater 60 2012 1846
54. M. Mantina, Y. Wang, L.Q. Chen, Z.K. Liu, and C. Wolverton Acta Mater 57 2009 4102
55. L. Perriere, D. Bregiroux, B. Naitali, E. Audubert, E. Champion, and D.S. Smith J Eur Ceram Soc 27 2007 3207
56. L.G. Van Uitert, H.M. O'Bryan, M.E. Lines, H.J. Guggenheim, and G. Zydzik Mater Res Bull 12 1977 261
57. E. Janots, F. Brunet, B. Goffe, C. Poinssot, M. Burchard, and L. Cemic Contrib Mineral Petrol 154 2007 1
58. P. Mogilevsky, E.E. Boakye, and R.S. Hay J Am Ceram Soc 90 2007 1899
59. D.G. Cahill, S.K. Watson, and R.O. Pohl Phys Rev B 46 1992 6131
60. D.G. Cahill, and R.O. Pohl Annu Phys Chem 39 1988 93
61. G.A. Slack J Phys Chem Solids 34 1973 321
62. A.W. Lawson J Phys Chem Solids 3 1957 155
63. J.S. Dugdale, and D.K.C. MacDonald Phys Rev 98 1955 1751
64. J. Feng, B. Xiao, R. Zhou, and W. Pan Scripta Mater 68 2013 727
65. A. Jacquot, B. Bayer, M. Winkler, H. Böttner, and M. Jaegle J Solid State Chem 193 2012 105
66. Wolfram Research, Inc., Mathematica, version 9.0, Champaign, IL; 2012.