Ab initio analysis of electron energy loss spectra for complex oxides

Ultramicroscopy

Volumn 80, Issue 2, 1999, Pages 145-151

  Kostlmeier S ^a   Elsasser C ^a   Meyer, B ^a  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

Author keywords

Bonding and coordination; Ceramic materials; Electron energy loss spectroscopy; Local density functional theory

Indexed keywords

BAND STRUCTURE; CRYSTAL ATOMIC STRUCTURE; ELECTRON ENERGY LEVELS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; MAGNESIUM COMPOUNDS; OPTIMIZATION; OXIDES; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS; TRANSMISSION ELECTRON MICROSCOPY;

COMPLEX OXIDES; ENERGY LOSS NEAR EDGE SPECTRA; HIGH SPATIAL RESOLUTION; NEIGHBOUR SENSITIVE ELECTRON DISTRIBUTION ANALYSIS;

ELECTRON ENERGY LOSS SPECTROSCOPY;

OXIDE;

ANALYTIC METHOD; ARTICLE; CALCULATION; CERAMICS; CHEMICAL ANALYSIS; CRYSTALLOGRAPHY; DENSITY; ELECTRON ENERGY LOSS SPECTROSCOPY; ENERGY;

EID: 0343208248     PISSN: 03043991     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0304-3991(99)00103-5     Document Type: Article

References (26)

1. Weng X., Rez P., Sankey O.F. Phys. Rev. B. 40:1989;5694.
2. Rez P., MacLaren J.M., Saldin D.K. Phys. Rev. B. 57:1998;2621.
3. Muller D.A., Singh D.J., Silcox J. Phys. Rev. B. 57:1998;8181.
4. I. Tanaka, H. Adachi, J. Phys. D. 29 (1996) 1725.
5. Bethe H. Ann. Physik. 5:1930;325.
6. Inokuti M. Rev. Mod. Phys. 43:1971;297.
7. Sawatzky G.A. Microsc. Micronanal. Microstruct. 2:1991;153.
8. Fink J Fuggle J.C., Inglesfield J.E. Unoccupied Electronic States: Fundamentals for XANES, EELS, IPS, and BIS. Vol. 69:1992;Springer, Berlin. (Chapter 7).
9. Vvedensky D.D., Saldin D.K., Pendry J.B. Comput. Phys. Commun. 40:1986;421.
10. Natoli C.R., Benfatto M., Doniach S. Phys. Rev. A. 34:1986;4682.
11. Pickett W.E. Comput. Phys. Rep. 9:1989;115.
12. Kübler J, Eyert V Cahn R.W., Haasen P., Kramer E.J. Electronic Structure Calculations. Vol. 3A:1992;VCH, Weinheim. (Chapter 1.).
13. S. Köstlmeier, C. Elsässer, submitted for publication.
14. Sanchez-Portal D., Artacho E., Soler J.M. J. Phys.: Condens. Matter. 8:1996;3859.
15. Louie S.G., Ho K.M., Cohen M.L. Phys. Rev. B. 19:1979;1974.
16. Elsässer C., Takeuchi N., Ho K.M., Chan C.T., Braun P., Fähnle M. J. Phys.: Condens. Matter. 2:1990;4371.
17. B. Meyer, C. Elsässer, M. Fähnle, Fortran 90 Program for Mixed-Basis Pseudopotential Calculations for Crystals, Max-Planck-Institut für Metallforschung, Stuttgart, unpublished.
18. R Hoffmann, Solids and Surface A Chemist's View of Bonding in Extended Structures, VCH, Weinheim, 1988.
19. Zorina N.G., Kvitka S.S. Kristallografiya. 13:1969;599.
20. Müllejans H., Bruley J. Ultramicroscopy. 53:1994;351.
21. Bruley J., Tseng M.-W., Williams D.B. Microsc. Microanal. Microstruct. 6:1995;1.
22. R.S. Mulliken, J. Chem. Phys. 23 (1955) 1833 and 2338.
23. Taftø J., Zhu J. Ultramicroscopy. 9:1982;349.
24. Brydson R., Sauer H., Engel W., Hofer F. J. Phys.: Condens. Matter. 4:1992;3429.
25. Bortz M.L., French R.H., Jones D.J., Kasowski R.V., Ohuchi F.S. Phys. Scripta. 41:1990;4404.
26. C. Colliex, T. Manoubi, M. Gasgnier, L.M. Brown, in: A.M.F. O'Hare (Ed.), Scanning Electron Microscopy, Part II, SEM, Illinois, 1985, p. 489.