Origin of the chemical shift in X-ray absorption near-edge spectroscopy at the Mn K-edge in manganese oxide compounds

International Journal of Quantum Chemistry

Volumn 91, Issue 1, 2002, Pages 57-61

  De Vries, A H ^a   Hozoi, L ^a   Broer, R ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

1s 4p transition energies; 3d Occupation; K edge X ray absorption spectra; Madelung potential; Mn oxide compounds

Indexed keywords

CALCIUM COMPOUNDS; CALCULATIONS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; IONIZATION; LANTHANUM COMPOUNDS; LIGHT ABSORPTION; X RAY PHOTOELECTRON SPECTROSCOPY; X RAY SPECTROSCOPY;

CHEMICAL SHIFT; MADELUNG POTENTIAL; MANGANESE OXIDE COMPOUND; X RAY ABSORPTION SPECTRA;

MANGANESE COMPOUNDS;

EID: 0037022114     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10370     Document Type: Article

References (30)

1. Subías, G.; García, J.; Proietti, M. G.; Blasco, J. Phys Rev B 1997, 56, 8183-8191.
2. Ishihara, S.; Maekawa, S. Phys Rev Lett 1998, 80, 3799.
3. Benfatto, M.; Joly, Y.; Natoli, C. R. Phys Rev Lett 1999, 83, 636.
4. Takahashi, M.; Igarashi, J.; Fulde, P. J Phys Soc Jpn 1990, 68, 2530.
5. Bridges, F.; Booth, C. H.; Kwei, G. H. et al. Phys Rev B 2000, 61, R9237-R9240.
6. Croft, M.; Sills, D.; Greenbelt, M.; Lee, C.; Cheong, S.-W.; Ramanujachary, K. V.; Tran, D. Phys Rev B 1997, 55, 8276.
7. Murakami, Y.; Hill, J. P.; Gibbs, D.; Blume, M.; Koyama, I.; Tanaka, M.; Kawata, H.; Arima, T.; Tokura, Y.; Hyrota, K.; Endoh, Y. Phys Rev Lett 1998, 81, 582.
8. Qian, Q.; Tyson, T. A.; Kao, C.-C.; Croft, M.; Ignatov, A. Y. Appl Phys Lett 2002, 80, 3141.
9. Elfimov, I. S.; Anisimov, V. I.; Sawatzky, G. A. Phys Rev Lett 1999, 82, 4264.
10. Takahashi, M.; Igarashi, J.; Fulde, P. J Phys Soc Jpn 2000, 69, 1614.
11. Hozoi, L.; de Vries, A. H.; Broer, R. Phys Rev B 2001, 64, 165104.
12. Parmigiani, F.; Sangaletti, L. J Electron Spectrosc Rel Phenom 1999, 98-99, 287.
13. Lam, D. J.; Veal, B. W.; Ellis, D. E. Phys Rev B 1980, 22, 5730-5739.
14. Saitoh, T.; Bocquet, A. E.; Mizokawa, T. et al. Phys Rev B 1995, 51, 13942-13951.
15. Tyson, T. A.; Qian, Q.; Kao, C.-C. et al. Phys Rev B 1999, 60, 4665-4674.
16. Hämäläinen, K.; Kao, C.-C.; Hastings, J. B. et al. Phys Rev B 1992, 46, 14274.
17. MOLCAS-4 program package, Andersson, K.; Blomberg, M. R. A.; Fülscher, M. P. et al. Lund University: Lund, Sweden, 1997.
18. Pou-Amerigo, R.; Merchan, M.; Nebot-Gil, I. Theor Chim Acta 1995, 92, 149.
19. Widmark, P.-O.; Malmqvist, P.-A.; Roos, B. O. Theor Chim Acta 1990, 77, 291-.
20. Broer, R.; Nieuwpoort, W. C.; v.d. Waals, J. H. J Electron Spectrosc Rel Phenom 1994, 69, 73-79.
21. Abdalla, A.; Barandiaran, Z.; Seijo, L. J Chem Phys 1998, 108, 2005.
22. Pascual, J. L.; Seijo, L.; Barandiaran, Z. J Chem Phys 1993, 98, 9715.
23. Huzinaga, S.; Seijo, L.; Barandiaran, Z. et al. J Chem Phys 1987, 86, 2132.
24. Wyckoff, R. W. G. Crystal Structures; Interscience: New York, 1963.
25. Woodward, P. M. Acta Crystallogr B 1997, 53, 32-43.
26. Pöppelmeier, K. R.; Leonowicz, M. E.; Scanlon, J. C. et al. J Solid State Chem 1982, 45, 71.
27. Hozoi, L.; de Vries, A. H.; Broer, R. (to be published).
28. Su, Y.-S.; Kaplan, T. A.; Mahanti, S. D. et al. Phys Rev B 2000, 61, 1324.
29. Fava, F. F.; D'Arco, P.; Orlando, R. et al. J Phys Condens Matter 1997, 9, 489.
30. Janssen, G. J. M. PhD thesis. University of Groningen: Groningen, The Netherlands, 1986.