Location of krypton atoms in uranium dioxide

Journal of Nuclear Materials

Volumn 275, Issue 1, 1999, Pages 119-123

  Petit, T ^a,d   Jomard, G ^a   Lemaignan, C ^a   Bigot, B ^b   Pasturel, A ^c  

^a CEA GRENOBLE   (France)

^b UNIVERSITÉ DE LYON   (France)

^c UNIVERSITÉ JOSEPH FOURIER   (France)

^d IRFM   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; ELECTRONIC STRUCTURE; FISSION REACTIONS; KRYPTON; MOLECULAR DYNAMICS; NUMERICAL METHODS; XENON;

DENSITY FUNCTIONAL THEORY; LOCAL DENSITY APPROXIMATION; SCHOTTKY TRIO DEFECTS;

URANIUM DIOXIDE;

EID: 0033204085     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3115(99)00127-0     Document Type: Article

References (22)

1. H. Kleykamp, J. Nucl. Mater. 131 (1985) 221.
2. C.R.A. Callow, M.J. Norgelt, J. Phys. (Paris) 34 (1973) C9-45.
3. C.R.A. Callow, Proc. R. Soc. London A 353 (1977) 533.
4. C.R.A. Catlow, Proc. R. Soc. London A 364 (1978) 473.
5. R.A. Jackson, C.R.A. Catlow, J. Nucl. Mater. 127 (1985) 161-167.
6. R.A. Jackson, A.D. Murray, J.H. Harding, C.R.A. Catlow, Philos. Mag. A 53 (1986) 27.
7. R.W. Grimes, C.R.A. Catlow, A.M. Stoneham, J. Am. Ceram. Soc. 72 (1989) 1856.
8. R.G.J. Bail, R.W. Grimes, J. Chem. Soc. Faraday Trans 86 (1990) 1257.
9. R.W. Grimes, C.R.A. Catlow, Philos. Trans. R. Soc. London A 335 (1991) 609.
10. R.W. Grimes, R.G.J. Ball, C.R.A. Callow, J. Phys. Chem. Solids 53 (1992) 475.
11. T. Karakasidis, P.J.D. Lindan, J. Phys.: Condens. Matter. 6 (1994) 2965.
12. S. Nicoll, H. Matzke, C.R.A. Callow, J. Nucl. Mater. 226 (1995) 51.
13. S. Nicoll, H. Matzke, R.W. Grimes, C.R.A. Catlow, J. Nucl. Mater. 240 (1997) 185.
14. Hj. Matzke, J.A. Davies, J. Appl. Phys. 38 (1967) 805.
15. Hj. Matzke, J. Nucl. Mater. 30 (1969) 110.
16. M. van Schilfgaarde, A.T. Paxton, M. Methfessel, LMTOASA Programme, Version 4.1, 1994.
17. O.K. Andersen, Phys. Rev. B 12 (1975) 3060.
18. H.L. Skriver, The LMTO Method, Springer, Berlin, 1984.
19. T. Petit, B. Morel, C. Lemaignan, A. Pasturel, B. Bigot, Philos. Mag. B 73 (1996) 893.
20. S.L. Dudarev, D. Nguyen Manh, A.P. Sutton, Philos. Mag. B 75 (1997) 613.
21. F. Jollet, T. Petit, S. Gota, N. Thromat, M. Gautier-Soyer, A. Pasturel, J. Phys.: Condens. Matter. 9 (1997) 9393.
22. T. Petit, C. Lemaignan, F. Jollet, B. Bigot, A. Pasturel, Philos. Mag. B 77 (1998) 779.