Structural and electronic relaxations around substitutional (formula presented) and (formula presented) ions in corundum

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 9, 2003, Pages

  Gaudry, Emilie ^a   Kiratisin, Amonmat ^a   Sainctavit, Philippe ^a   Brouder, Christian ^a   Mauri, Francesco ^a   Ramos, Aline ^a   Rogalev, Andreï ^b   Goulon, José ^b  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^b EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84876370988     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.094108     Document Type: Article

References (40)

1. K. Nassau, The Physics and Chemistry of Color (Wiley, New York, 1983).
2. R. G. Burns, Mineralogical Applications of Cristal Field Theory, Vol. 5 of Cambridge Topics in Mineral Physics and Chemistry, 2nd ed. (Cambridge University Press, Cambridge, 1993).
3. L X. Benedict, E L. Shirley, and R B. Bohn, Phys. Rev. Lett.80, 4514 (1998).
4. S. Albrecht, L. Reining, R. DelSole, and G. Onida, Phys. Rev. Lett.80, 4510 (1998).
5. M. Rohlfing and S G. Louie, Phys. Rev. B62, 4927 (2000).
6. V. Olevano and L. Reining, Phys. Rev. Lett.86, 5962 (2001).
7. R H. French, J. Am. Ceram. Soc.73, 477 (1990).
8. J. F. Nye, Physical Properties of Crystals (Clarendon, Oxford, 1957).
9. R D. Shannon, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr.32, 751 (1976).
10. W Y. Ching and Y.-N. Xu, J. Am. Ceram. Soc.77, 404 (1994).
11. J W. McCauley and G V. Gibbs, Z. Kristallogr.135, 453 (1972).
12. S C. Moss and R E. Newnham, Z. Kristallogr.120, 359 (1964).
13. D S. McClure, J. Chem. Phys.36, 2757 (1962).
14. K. Langer, Z. Kristallogr.216, 87 (2001).
15. R. Büscher, K P. Such, and G. Lehmann, Phys. Chem. Miner.14, 553 (1987).
16. Z. Wen-Chen, Physica B245, 119 (1998).
17. W. B. Pearson, Structure Reports (International Union of Cristallography, Utrecht, 1962), Vol. 27.
18. L W. Finger and R M. Hazen, J. Appl. Phys.51, 5362 (1980).
19. P. Kizler, J. He, D R. Clarke, and P R. Kenway, J. Am. Ceram. Soc.79, 3 (1996).
20. S. Emura, H. Maeda, Y. Kuroda, and T. Murata, Jpn. J. Appl. Phys.32, 734 (1993).
21. W. Duan, G. Paiva, R M. Wentzcovitch, and A. Fazzio, Phys. Rev. Lett.81, 3267 (1998).
22. J. Goulon, C. Goulon-Ginet, A. Rogalev, G. Benayoun, C. Malgrange, and C. Brouder, Proc. SPIE3773, 316 (1999).
23. J. Goulon, A. Rogalev, C. Gauthier, C. Goulon-Ginet, S. Paste, R. Signorato, C. Neumann, L. Varga, and C. Malgrange, J. Synchrotron Radiat.5, 232 (1998).
24. Ch. Brouder, D. Cabaret, Ph. Sainctavit, A. Kiratisin, J. Goulon, and A. Rogalev, Radiat. Eff. Defects Solids155, 89 (2001).
25. C. Brouder, J. Phys.: Condens. Matter2, 701 (1990).
26. M. Winterer, J. Phys. IV7, 243 (1997).
27. D. Bonnin, G. Calas, H. Suquet, and H. Pezerat, Phys. Chem. Miner.12, 55 (1985).
28. B. K. Teo, EXAFS: Basic Principles and Data Analysis (Springer Verlag, Berlin, 1985).
29. D. C. Koningsberger and R. Prins, X-ray Absorption. Principles, Applications, Techniques of EXAFS, SEXAFS, and XANES (Wiley, New York, 1988), Vol. 92.
30. B. Boizot, Ph.D. thesis, Université Paris VI, 1996.
31. L. Varga, C. Giles, C. Neumann, A. Rogalev, C. Malgrange, J. Goulon, and F D. Bergevin, J. Phys. IV7, 309 (1997).
32. S. Goedecker, M. Teter, and J. Hutter, Phys. Rev. B54, 1703 (1996).
33. N. Troullier and J L. Martins, Phys. Rev. B43, 1993 (1991).
34. L. Kleinman and D M. Bylander, Phys. Rev. Lett.48, 1425 (1982).
35. W. Duan, R M. Wentzcovitch, and K T. Thomson, Phys. Rev. B57, 10 363 (1998).
36. J. Hutter, P. Ballone, M. Bernasconi, P. Focher, E. Fois, S. Goedecker, M. Parrinello, and M. Tuckerman (unpublished).
37. N. Laurance, E C. McIrvine, and J. Lambe, J. Phys. Chem. Solids23, 515 (1962).
38. L L. Lohr and W H. Lipscomb, J. Chem. Phys.38, 1607 (1963).
39. A L. Ankudinov, B. Ravel, J J. Rehr, and S D. Conradson, Phys. Rev. B58, 7565 (1998).
40. D. Reinen, Struct. Bonding (Berlin)6, 30 (1969).