Analysis of the refractive indices of TiO 2, TiOF 2, and TiF 4: Concept of optical channel as a guide to understand and design optical materials

Inorganic Chemistry

Volumn 44, Issue 10, 2005, Pages 3589-3593

  Rocquefelte, Xavier ^a   Goubin, Fabrice ^a   Montardi, Yvan ^b   Viadere, Nicolas ^c   Demourgues, Alain ^c   Tressaud, Alain ^c   Whangbo, Myung Hwan ^d   Jobic, Stéphane ^a  

^a INSTITUT DES MATÉRIAUX JEAN ROUXEL   (France)

^b Rhodia Recherches   (France)

^c INST CHIM MATIERE COND BORDEAUX   (France)

^d NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 19844378083     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic048259w     Document Type: Article

References (27)

1. Clottes, J.; Menu, M.; Walter, P. Bull. Soc. Prehist. Fr. 1990, 87, 171 (special issue for the 50th anniversary of the discovery of Lascaux).
2. Moss, T. S. Phys. Status Solidi B 1985, 131, 415.
3. Jaffe, H. W. Am. Mineral. 1956, 41, 757.
4. Hummel, R. E. Electronic Properties of Materials; Springer-Verlag: Berlin, 2000.
5. Lorentz, H. A. Theory of Electrons; B. Teubner and Sons: Leipzig, Germany, 1909.
6. Hohenberg, P.; Kohn, W. Phys. Rev. B 1964, 136, 864.
7. Kohn, W.; Sham, L. J. Phys. Rev. A 1965, 140, 1133.
8. French, R. H.; Müllejans, H.; Jones, D. J. J. Am. Ceram. Soc. 1998, 81, 2549.
9. Bassani, F.; Pastori Parravicini, G. Electronic States and Optical Transitions in Solids; Ballinger, R. A., Ed.; Pergamon Press: London, 1975.
10. Lynch, W. D. In Handbook of Optical Constants of Solids; Palik, E. D., Ed.; Academic Press: New York, 1985; p 189.
11. Rocquefelte, X.; Goubin, F.; Koo, H.-J.; Whangbo, M.-H.; Jobic, S. Inorg. Chem. 2004, 43, 2246.
12. Vorres, K.; Donohue, J. Acta Crystallogr. 1955, 8, 25.
13. Bialowons, H.; Mueller, M.; Mueller, B. G. Z. Anorg. Allg. Chem. 1995, 627, 1227.
14. Blaha, P.; Schwartz, K.; Madsen, G. K. H.; Kvasnicka, D.; Luiz, J. WIEN2k: An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties; Technische Universität Wien: Vienna, Austria, 2001.
15. Perdew, J. P.; Burke, S.; Ernenrhof, M. Phys. Rev. Lett. 1996, 77, 3865.
16. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169.
17. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953.
18. 2 is as follows: P4/mmm; a = 3.9348 Å, c = 3.7143 Å; Ti = (0, 1/2, 0), O = (0, 0, 1/2), F = (0, 1/2, 0).
19. 2 is as follows: P4/mmm; a = 7.6401 Å, c = 3.9179 Å; Ti = (0.761 40, 0.761 40, 0), O = (0, 0.745 28, 0), F1 = (1/2, 0.742 67, 0), F2 = (0.742 67, 0.742 67, 1/2).
20. 2 is as follows: P1; a = 7.7145 Å, b = 7.7176 Å, c = 7.7475 Å; α = β= 89.93, γ = 90.04°; Ti1 = (0.526 98, 0.523 29, 0.500 40), Ti2 = (0.517 39, 0.480 77, 0.000 48), Ti3 = (0.025 44, 0.516 04, 0.487 34), Ti4 = (0.519 46, 0.001 81, 0.513 15), Ti5 = (0.043 23, 0.500 21, 0.013 28), Ti6 = (0.522 96, 0.005 72, 0.987 48), Ti7 = (0.044 48, 0.991 66, 0.499 95), Ti8 = (0.000 00, 0.000 00, 0.000 00), O1 = (0.523 50, 0.249 95, 0.001 33), O2 = (0.026 12, 0.500 40, 0.250 30), O3 = (0.775 24, 0.997 27, 0.001 87), O4 = (0.528 39, 0.747 70, 0.498 71), 05 = (0.025 36, 0.749 51, 0.500 47), O6 = (0.523 78, 0.000 30, 0.750 13), O7 = (0.274 94, 0.002 29, 0.498 89), O8 = (0.276 44, 0.500 75, 0.000 53), F1 = (0.529 29, 0.253 55, 0.495 49), F2 = (0.022 70, 0.249 22, 0.503 14), F3 = (0.024 76, 0.248 19, 0.995 01), F4 = (0.525 24, 0.747 92, 0.004 09), F5 = (0.025 31, 0.752 21, 0.993 34), F6 = (0.531 92, 0.499 66, 0.252 97), F7 = (0.524 64, 0.998 89, 0.250 07), F8 = (0.025 60, 0.005 51, 0.247 16), F9 = (0.529 85, 0.500 11, 0.748 26), F10 = (0.023 98, 0.497 40, 0.750 38), F11 = (0.025 31, 0.004 28, 0.752 34), F12 = (0.774 25, 0.490 09, 0.505 82), F13 = (0.777 32, 0.004 90, 0.496 11), F14 = (0.775 92, 0.503 91, 0.997 18), F15 = (0.278 79, 0.488 69, 0.505 93), F16 = (0.269 97, 0.994 52, 0.004 48).
21. Held, K.; Anisimov, V. I.; Eyert, V.; Keller, G.; McMahan, A. K.; Nekrasov, I. A.; Vollhardt, D. Adv. Solid State Phys. 2003, 43, 267.
22. Egerton, R. F. Electron Energy Loss Spectroscopy in the Electron Microscope; Plenum Press: New York, 1986.
23. Montardi, Y.; Witz, C.; Normand, L.; Thorel A. J. Phys. IV 1999, 9, 217.
24. Goubin, F.; Rocquefelte, X.; Whangbo, M.-H.; Montardi, Y.; Brec, R.; Jobic, S. Chem. Mater. 2004, 16, 662.
25. Goubin, F.; Rocquefelte, X.; Pauwels, D.; Tressaud, A.; Demourgues, A.; Jobic, S.; Montardi, Y. J. Solid State Chem. 2004, 177, 2833.
26. Rocquefelte, X.; Whangbo, M.-H.; Jobic, S. Inorg. Chem. 2005, 44, 3594-3598.
27. CRC Handbook of Chemistry and Physics; Lide, D. R., Ed.; CRC Press: Boca Raton, FL, 2003.