A DFT + U study of cerium solubility in La 2Zr 2O 7

Journal of Nuclear Materials

Volumn 424, Issue 1-3, 2012, Pages 69-74

  Wang, X J ^a   Xiao, H Y ^b   Zu, X T ^a   Weber, W J ^b,c  

^a UNIVERSITY OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b University of Tennessee   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CE 4F STATE; CERIUM CONTENT; CHARGE STATE; HUBBARD; IONIC RADIUS;

CERIUM; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; SOLID SOLUTIONS; SOLUBILITY;

ZIRCONIUM;

EID: 84860532521     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2012.02.008     Document Type: Article

References (53)

1. G. Taubes Science 263 1994 629
2. R.C. Ewing, W.J. Weber, and J. Lian J. Appl. Phys. 95 2004 5949
3. W.J. Weber, R.C. Ewing, and C.R.A. Catlow J. Mater. Res. 13 1998 1434 1484
4. W.J. Weber, J.W. Wald, and H. Matzke Mater. Lett. 3 1985 173 180
5. I. Hayakawa, and H. Kamizono J. Mater. Sci. 28 1993 513 517
6. H. Kamizono, I. Hayakawa, and S. Muraoka J. Am. Ceram. Soc. 74 1991 863 864
7. I. Hayakawa, and H. Kamizono J. Nucl. Mater. 202 1993 163 168
8. I. Hayakawa, and H. Kamizono Mater. Res. Symp. Proc. 257 1992 257
9. J. Lian, X.T. Zu, K.V.G. Kutty, J. Chen, L.M. Wang, and R.C. Ewing Phys. Rev. B 66 2002 054108
10. W.J. Weber, Y.W. Zhang, H.Y. Xiao, and L.M. Wang RSC Adv 2 2012 595
11. J. Lian, L. Wang, R. Haire, K. Helean, and R. Ewing Nucl. Instrum. Methods Phys. Res. B. 218 2004 236 243
12. S.S. Shoup, C.E. Bamberger, and R.G. Haire J. Am. Ceram. Soc. 79 1996 1489
13. N.K. Kulkarni, S. Sampath, and V. Venugopal J. Nucl. Mater. 281 2000 248
14. J.A. Fortner, A.J. Kropf, R.J. Finch, A.J. Bakel, M.C. Hash, and D.B. Chamberlain J. Nucl. Mater. 304 2002 56
15. A. Cleave, R.W. Grimes, and K. Sickafus Philos. Mag. 85 2005 967
16. R.E. Williford, and W.J. Weber J. Nucl. Mater. 299 2001 140
17. S. Yamazaki, T. Yamashita, T. Matsui, and T. Nagasaki J. Nucl. Mater. 294 2001 183
18. W.J. Weber, and R.C. Ewing Science 289 2000 2051 2052
19. K. Yasunaga, K. Yasuda, S. Matsumura, and T. Sonoda Nucl. Instrum. Methods Phys. Res., Sect. B 266 2008 2877
20. T. Sonoda, M. Kinoshita, N. Ishikawa, M. Sataka, Y. Chimi, N. Okubo, A. Iwase, and K. Yasunaga Nucl. Instrum. Methods Phys. Res., Sect. B 266 2008 2882
21. H.Y. Xiao, and W.J. Weber J. Phys. Chem. B 115 2011 6524
22. X.J. Wang, H.Y. Xiao, X.T. Zu, and W.J. Weber J. Nucl. Mater. 419 2011 105
23. W.J. Weber Radiat. Eff. 83 1984 145
24. C.E. Bamberger, T.J. Haverlock, S.S. Shoup, C.C. Kopp, and N.A. Stump J. Alloys Compd. 204 1994 101
25. N.K. Kulkarni, S. Sampath, V.Venugopal, in: XI National Symposium on Thermal Analysis, University of Jammu, India, 2-5 March 1998.
26. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15 50
27. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
28. S.L. Dudarev, G.A. Botton, S.Y. Savrasov, C.J. Humphreys, and A.P. Sutton Phys. Rev. B 57 1998 1505
29. J.L.F. Da Silva, M.V. Ganduglia-Pirovano, J. Sauer, V. Bayer, and G. Kresse Phys. Rev. B 75 2007 045121
30. D.A. Andersson, S.I. Simak, B. Johansson, I.A. Abrikosov, and N.V. Skorodumova Phys. Rev. B 75 2007 035109
31. C. Loschen, J. Carrasco, K.M. Neyman, and F. Illas Phys. Rev. B 75 2007 035115
32. N. Li, H. Xiao, X.T. Zu, L.M. Wang, R.C. Ewing, J. Lian, and F. Gao J. Appl. Phys. 102 2007 063704 063706
33. H.Y. Xiao, L.M. Wang, X.T. Zu, J. Lian, and R.C. Ewing J. Phys.: Condens. Matter 19 2007 346203
34. P.E. Raison, C.C. Pavel, R. Jardin, E. Suard, R.G. Haire, and K. Popa Phys. Chem. Miner. 37 2010 555 559
35. T. Baidya, M. Hegde, and J. Gopalakrishnan J. Phys. Chem. B 111 2007 5149 5154
36. M. Uno, A. Kosuga, M. Okui, K. Horisaka, H. Muta, K. Kurosaki, and S. Yamanaka J. Alloy.Compd. 420 2006 291
37. C.W.M. Castleton, J. Kullgren, and K. Hermansson J. Chem. Phys. 127 2007 244704
38. C. Sevik Phys. Rev. B 80 2009 014108
39. R.D. Shannon Acta Crystallogr. Sect A 32 1976 751
40. M.A. Subramanian, G. Aravamudan, and G.V.S. Rao Prog. Solid State Chem. 15 1983 55 143
41. M.E. Björketun, C.S. Knee, B.J. Nyman, and G. Wahnström Solid State Ionics 178 2008 1642 1647
42. R. Terki, H. Feraoun, G. Bertrand, and H. Aourag J. Appl. Phys. 96 2004 6482
43. J. Lian, J. Chen, L.M. Wang, R.C. Ewing, J.M. Farmer, L.A. Boatner, and K.B. Helean Phys. Rev. B 68 2003 134107
44. J. Lian, L.M. Wang, J. Chen, R.C. Ewing, and K.V.G. Kutty Mater. Res. Soc. Symp. Proc. 713 2002 507
45. H.Y. Xiao, F. Gao, and W.J. Weber Phys. Rev. B 80 2009 212102
46. A. Chartier, C. Meis, W.J. Weber, and L.R. Corrales Phys. Rev. B 65 2002 134116
47. H.Y. Xiao, Y.W. Zhang, and W.J. Weber J. Nucl. Mater. 414 2011 464
48. H.Y. Xiao, F. Gao, and W.J. Weber J. Phys.: Condens. Matter 22 2010 415801
49. F. Gao, H.Y. Xiao, Y.G. Zhou, R. Devanathan, S.Y. Hua, Y.L. Li, X. Sun, and M.A. Khaleel Comp. Mater. Sci. 54 2012 170
50. F. Gupta, A. Pasturel, and G. Brillant J. Nucl. Mater. 385 2009 368
51. Y. Yun, H. Kim, H. Kim, and K. Park J. Nucl. Mater. 378 2008 40 44
52. E.D.A. Ferriss, R.C. Ewing, and U. Becker Am. Mineral. 95 2010 229
53. B.P. Mandal, and A.K. Tyagi Barc Newslett. 313 2010 6