First-principles calculations for the cooperative transitions of Yb 3+ dimer clusters in Y 3Al 5O 12 and Y 2O 3 crystals

Journal of Chemical Physics

Volumn 122, Issue 2, 2005, Pages

  Ishii, Takugo ^a  

^a KWANSEI GAKUIN UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION NUMBERS; FIRST-PRINCIPLES MULTIELECTRON METHODS; MOLECULAR-ORBITAL METHODS; SELF-CONSISTENT PROCEDURES;

ELECTRONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POSITIVE IONS; PROBABILITY; YTTERBIUM;

DIMERS;

EID: 22944479979     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1824894     Document Type: Article

References (25)

1. D. L. Dexter, Phys. Rev. 126, 1962 (1962).
2. E. Nakazawa and S. Shionoya, Phys. Rev. Lett. 25, 1710 (1970).
3. Ph. Goldner, F. Pellé, D. Meichenin, and F. Auzel, J. Lumin. 71, 137 (1997).
4. B. Z. Malkin, A. M. Leushin, A. I. Iskhakova, J. Heber, M. Altwein, K. Moller, I. I. Fazlizhanov, and V. A. Ulanov, Phys. Rev. B 62, 7063 (2000).
5. M. P. Hehlen and H. U. Güdel, J. Chem. Phys. 98, 1768 (1993).
6. H. J. Schugar, E. I. Solomon, W. L. Cleveland, and L. Goodman, J. Am. Chem. Soc. 97, 6442 (1975).
7. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
8. M. Dolg, H. Stoll, H.-J. Flad, and H. Preuss, J. Chem. Phys. 97, 1162 (1992).
9. L. Seijo and Z. Barandiarán, J. Chem. Phys. 118, 5335 (2003).
10. K. Ogasawara, T. Iwata, Y. Koyama, T. Ishii, I. Tanaka, and H. Adachi, Phys. Rev. B 64, 115413 (2001).
11. K. Ogasawara, T. Ishii, I. Tanaka, and H. Adachi, Phys. Rev. B 61, 143 (2000).
12. T. Ishii, K. Ogasawara, H. Adachi, and I. Tanaka, J. Chem. Phys. 115, 492 (2001).
13. T. Ishii, M. G. Brik, K. Fujimura, K. Sato, and K. Ogasawara, J. Alloys Compd. 374, 18 (2004).
14. T. Ishii, M. G. Brik, and K. Ogasawara, J. Alloys Compd. 380, 136 (2004).
15. A. Rosén, D. E. Ellis, H. Adachi, and F. W. Averill, J. Chem. Phys. 65, 3629 (1976).
16. J. Onoe, H. Nakamatsu, T. Mukoyama, R. Sekine, H. Adachi, and K. Takeuchi, Inorg. Chem. 36, 1934 (1997).
17. F. Euler and J. A. Bruce, Acta Crystallogr. 19, 971 (1965).
18. M. G. Paton and E. N. Maslen, Acta Crystallogr. 19, 307 (1965).
19. P. Dorenbos, J. Lumin. 91, 91 (2000).
20. L. van Pieterson, M. Heeroma, E. de Heer, and A. Meijerink, J. Lumin. 91, 177 (2000).
21. T. Kushida, J. Phys. Soc. Jpn. 34, 1318 (1973);
22. 34, 1327 (1973);
23. 34, 1334 (1973).
24. R. A. Buchanan, K. A. Wickersheim, J. J. Pearson, and G. F. Herrmann, Phys. Rev. 159, 245 (1967).
25. V. Peters, Ph.D. thesis, Universität Hamburg, Germany, 2001.