Multiple scattering calculations of bonding and X-ray absorption spectroscopy of manganese oxides

Journal of Physical Chemistry A

Volumn 107, Issue 16, 2003, Pages 2839-2847

  Gilbert, B ^a,e   Frazer, B H ^a,b   Belz, A ^c   Conrad, P G ^c   Nealson, K H ^c   Haskel, D ^d   Lang, J C ^d   Srajer, G ^d   De Stasio, G ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b EPFL   (Switzerland)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^d ARGONNE NATIONAL LABORATORY   (United States)

^e UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYBRIDIZATION; MULTIPLE SCATTERING; MULTIPLET EFFECTS; QUADRUPOLAR TRANSITIONS;

ABSORPTION SPECTROSCOPY; BONDING; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; MANGANESE COMPOUNDS; X RAY SPECTROSCOPY;

LIGHT SCATTERING;

EID: 0345531348     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021493s     Document Type: Article

References (49)

1. Ammundsen, B.; Jones, D. J.; Roziere, J. J. Solid State Chem. 1998, 141, 294.
2. Ignatov, A. Y.; Ali, N.; Khalid, S. Phys. Rev. B 2001, 64, 014413
3. Saitoh, T.; Bocquet, A. E.; Mizokawa, T.; Namatame, H.; Fujimori, A.; Abbate, M.; Takeda, Y.; Takano, M. Phys. Rev. B 1995, 51, 13942.
4. Sanchez, M. C.; Garcia, J.; Blasco, J.; Subias, G.; Perez-Cacho, J. Phys. Rev. B 2002, 65, 144409.
5. Grush, M. M.; Chen, J.; Stemmler, T. L.; George, S. J.; Ralston, C. Y.; Stilbrany, R. T.; Gelasco, A.; Christou, G.; Gorun, S. M.; Penner-Hahn, J. E.; Cramer, S. P. J. Am. Chem. Soc., 1996, 118, 65.
6. Bargar, J. R.; Tebo, B. M.; Villinski, J. E. Geochim. Cosmochim. Acta 2000, 64, 2775.
7. McKeown, D. A.; Post, J. E. Am. Mineral. 2001, 86, 701
8. Manceau, A.; Gorshkov, A. I.; Drits, V. A. Am. Mineral. 1992, 77, 1133.
9. Chen, W.; Sammynaiken, R.; Huang, Y.; Malm, J.-O.; Wallenberg, R.; Bovin, J.-O.; Zwiller, V.; Kotov, N. A. J. Appl. Phys. 2001, 89, 1120.
10. Tebo, B. M.; Ghiorse, W. C.; van Waasbergen, L. G., Siering, P. L.; Caspi, R. Reviews in Mineralogy. In Geomicrobiology: interactions between microbes and minerals; Banfield, J. F., Nealson, K. H., Eds.; Mineralogy Society of America: Washington, 1997; Vol. 35.
11. Shibata, T.; Bunker, B.; Mitchell, J. F.; Schiffer, P. Phys. Rev. Lett. 2002, 88, 207205.
12. De Stasio, G.; Gilbert, B.; Frazer, B. H.; Nealson, K. H.; Conrad, P. G. ; Livi, V.; Labrenz, M.; Banfield, J F. J. Elec. Spec. Relat. Phenom. 2001, 114, 997.
13. Labrenz, M.; Druschel, G. K., Thomsen-Ebert, T.; Gilbert, B.; Welch, S. A.; Kemner, K. M.; Logan, G. A.; Summons, R. E.; De Stasio, G.; Bond, P. L.; Lai, B.; Kelly, S. D.; Banfield, J. F. Science 2000, 270, 1744.
14. Meyer-Ilse, W., Warwick, T., Attwood, D., Eds.; X-ray Microscopy. AIP Conference Proceedings 507; AIP: Melville, NY, 2000.
15. Maser, J.; Osanna, A.; Wang, Y.; Jacobsen, C.; Kirz, J.; Spector, S.; Winn, B.; Tennant, D. J. Microscopy - Oxford 2000, 197, 68.
16. Frazer, B. H.; Gilbert, B.; De Stasio, G Rev. Sci. Instrum. 2002, 73, 1373.
17. Cramer, S. P.; de Groot, F. M F.; Ma, Y.; Chen, C. T.; Sette, F.; Kipke, C. A.; Eichhorn, D. M.; Chan, M. K.; Armstrong, W. H.; Libby, E.; Christou, G.; Brooker, S.; McKee, V., Mullins, O. C.; Fuggle, J. C. J. Am Chem. Soc. 1991, 113, 7937.
18. Garvie, L A. J., Craven, A. J. J. Phys. Chem. Minerals 1994, 21, 191.
19. Apte, M. Y.; Mande, C. J. Phys. Chem. Solids 1980, 41, 307.
20. Belli, M.; Scafati, A.; Bianconi, A.; Mobilio, S.; Palladino, L.; Reale, L.; Burattini, E. Solid State Commun. 1980, 35, 355.
21. Tonner, B. P.; Droubay, T.; Denlinger, J., Meyer-Ilse, W.; Warwick, T.; Rothe, J.; Kneedler, E.; Pecher, K.; Nealson, K.; Grundl, T. Surf. Interface Anal. 1999, 27, 247.
22. Nakai, S.; Mitsuishi, T.; Sugawara, H.; Maczawa, H.; Matsukawa, T.; Mitani, S.; Yamasaki, K.; Fujikawa, T. Phys. Rev. B 1987, 36, 9241.
23. Kawai, J.; Mizutani, Y.; Sugimura, T.; Sai, M.; Higuchi, T.; Harada, T.; Ishiwata, Y.; Fukushima, A.; Fujisawa, M.; Watanabe, M.; Maeda, K.; Shin, S.; Gihshi, Y. Spectrochim. Acta B 2000, 55, 1385.
24. Ankudinov, A.; Ravel, B.; Rehr, J. J.; Conradson, S. D. Phys. Rev. B 1998, 58, 7565.
25. Gilbert, B.; Frazer, B. H.; Zhang, H.; Huang, H.; Banfield, J. F.; Haskel, D.; Lang, J C.; Srajer, G.; De Stasio, G. Phys. Rev. B In press
26. Wyckoff, P. Crystal Structures: Wiley: New York, 1963.
27. Farges, F.; Brown, G. E., Jr.; Rehr, J. J. Geochim. Cosmochim. Acta 1996, 60, 3023.
28. Sherman, D. M. Am. Mineral. 1984, 69, 788.
29. Soldatov, A. V.; Ivanchenko, T. S.; Kovtun, A. P.; Della Longa, S.; Bianconi, A. Phys. Rev. B 1995, 52, 11757.
30. Di Bartolo, B. Optical interactions in solids, John Wiley & Sons: New York, 1968.
31. Kurata, H.; Colliex, C. Phys. Rev. B 1993, 48, 2102.
32. de Groot, F. M. F.; Grioni, M.; Fuggle, J. C.; Ghijsen, J.; Sawatzky, G. A.; Petersen, H. Phys. Rev. B 1989, 40, 5715
33. Rehr, J. J., Albers, R. C. Rev. Mod. Phys. 2000, 72, 621.
34. Kostlmeier, S.; Elsasser, C. Phys. Rev. B 1999, 60, 14025.
35. Kurata, H.; Lefevre, E.; Colliex, C.; Brydson, R. Phys Rev. B 1992, 47, 13763.
36. Murray, J. W., Dillard, J. G.; Giovanoli, R.; Moers, H.; Stumm, W. Geochim. Cosmochim. Acta 1985, 49, 463.
37. de Groot, F. M. F.; Fuggle, J. C.; Thole, B. T.; Sawatzky, G. A. Phys. Rev. B 1990, 42, 5459.
38. de Groot, F. M. F. Chem. Rev. 2001, 101, 1779.
39. van der Laan, G.; Kirkman, I W. J. Phys. Condens. Matter 1992, 4, 4189.
40. Cox, P A. Transition Metal Oxides: An Introduction to their Electronic Structure and Properties; Clarendon Press: Oxford, 1997.
41. de Groot, F. M. F. J. Elec. Spec. Relat. Phenom. 1994, 67, 529.
42. Westre, T. E.; Kennepohl, P.; Dewitt, J. G.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem Soc. 1997, 119, 6297.
43. Boulder, C. J. Phys.: Condens. Matter 1990, 2, 701.
44. Waychunas, G. A. Am. Mineral. 1987, 72, 89.
45. Stohr, J. NEXAFS spectroscopy; Springer-Verlag: Berlin, 1996.
46. Davoli, I.; Marcelli, A.; Bianconi, A.; Tomellini, M.; Fanfoni, M. Phys. Rev. B 1986, 33, 2979.
47. Mansour, A. N.; Melendres, C. A. J. Phys. Chem. A 1998, 102, 65.
48. Wong, J.; Lytle, F. W.; Messmer, R. P.; Maylotte, D. H Phys. Rev. B 1984, 30, 5596.
49. Ju, H. L.; Sohn, H.-C.; Krishnan, K. M. Phys. Rev. Lett. 1997, 79, 3230.