First-principles relativistic calculation for 4f-5d transition energy of Ce3+ in various fluoride hosts

Journal of Solid State Chemistry

Volumn 179, Issue 8, 2006, Pages 2438-2442

  Watanabe, Shinta ^a   Ishii, Takugo ^a   Fujimura, Koji ^b   Ogasawara, Kazuyoshi ^a  

^a KWANSEI GAKUIN UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

4f 5d transition; Cerium; First principles calculation; Fluorides; Relativistic effects

Indexed keywords

DATA ACQUISITION; FLUORIDE MINERALS; POSITIVE IONS; REACTION KINETICS; SINGLE CRYSTALS; TRANSITION METAL COMPOUNDS;

4F-5D TRANSITION; FIRST-PRINCIPLES CALCULATION; FLUORIDES; RELATIVISTIC EFFECTS;

CERIUM COMPOUNDS;

EID: 33746320462     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2006.04.040     Document Type: Article

References (29)

1. Rambaldi P., Moncorgé R., Wolf J.P., Pedrini C., and Gesland J.Y. Opt. Commun. 146 (1998) 163
2. Kodama N., Yamaga M., and Henderson B. J. Appl. Phys. 84 (1998) 5820
3. Dorenbos P. J. Lumin. 91 (2000) 155
4. Dorenbos P. Phys. Rev. B 62 (2000) 15640
5. Marsman M., Andriessen J., and van Eijk C.W. Phys. Rev. B 61 (2000) 16477
6. Bettinelli M., and Moncorgé R. J. Lumin. 92 (2001) 287
7. van Pieterson L., Reid M.F., Wegh R.T., Soverna S., and Meijerink A. Phys. Rev. B 65 (2002) 045113
8. van Pieterson L., Reid M.F., Burdick G.W., and Meijerink A. Phys. Rev. B 65 (2002) 045114
9. Shi J.S., Wu Z.J., Zhou S.H., and Zhang S.Y. Chem. Phys. Lett. 308 (2003) 245
10. Shi J.S., and Zhang S.Y. J. Phys. Chem. B 108 (2004) 18845
11. Slater J.C. Quantum Theory of Molecules and Solids vol. 4 (1974), McGraw-Hill, New York
12. Rosen A., Ellis D.E., Adachi H., and Averill F.W. J. Chem. Phys. 65 (1976) 3629
13. Onoe J., Nakamatsu H., Mukoyama T., Sekine R., Adachi H., and Takeuchi K. Inorg. Chem. 36 (1997) 1934
14. Shannon R.D. Acta Crystallogr. A 32 (1976) 751
15. Deshpande P.V. Acta Crystallogr. 14 (1961) 794
16. Willis B.T.M. Acta Crystallogr. 18 (1965) 75
17. Forsyth J.B., Wilson C.C., and Sabine T.M. Acta Crystallogr. A 45 (1989) 244
18. Padtke A.S., and Brown G.E. Am. Mineral. 59 (1974) 885
19. Bartaut E.F., le Fur Y., and Aleonard S. Z. Kristallogr. 187 (1989) 279
20. Ludekens W.L.W., and Welch A.J.E. Acta Crystallogr. 5 (1952) 841
21. Garcia E., and Ryan R.R. Acta Crystallogr. C 49 (1993) 2053
22. Boltina N.B., maximov B.A., Simonov V.I., Derzhavin S.I., Uvarova T.V., and Apollonov V.V. Krystallografiya 38 4 (1993) 43
23. Schaffers I.K., and Keszler A.D. Acta Crystallogr. C 47 (1991) 18
24. Cheetham K.A., Fender F.B.E., Fuess H., and Wright F.A. Acta Crystallogr. B 32 (1976) 94
25. Zalkin A., and Templeton D.H. J. Am. Chem. Soc. 75 (1953) 2453
26. Maximov B.A., and Schulz H. Acta Crystallogr. B 41 (1985) 91
27. Muradyan L.A., Zavodnik V.E., Makarova I.P., Aleksandrov K.S., and Simonov V.I. Kristallografiya 29 (1984) 392
28. Gingle F. Z. Anorg. Allg. Chem. 623 (1997) 705
29. Chakhmouradian A.R., Ross K., Mitchell R.H., and Swainson I. Phys. Chem. Miner. 28 (2001) 277