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Your search keyword '"Gridneva, L."' showing total 1 results
Start Over Author "Gridneva, L." Topic approximation theory
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1. Influence of the Coulomb parameter U on partial densities of states of CuGeO: comparison with X-ray spectral data.

Author

Galakhov, A. V., Galakhov, V. R., Anisimov, V. I., Kurmaev, E. Z., Sokolov, A. V., Gridneva, L., Maltsev, V. V., Leonyuk, L. I., Moewes, A., Bartkowski, S., Neumann, M., and Nordgren, J.

Subjects
COULOMB functions, ELECTRONIC structure, APPROXIMATION theory, CRYSTALS, X-ray spectroscopy, PHOTOELECTRON spectroscopy
Abstract

The electronic structure of the strongly Coulomb correlated cuprate CuGeO3 has been calculated by the local-density-approximation method (LDA +U). The parameterUwas varied from 0 to 8 eV. The results of the band-structure calculations are compared with experimental data obtained by means of X-ray photoelectron and resonant X-ray emission spectroscopy methods (Cu Land O KX-ray emission spectra). It is established that a LDA +Ucalculation withU= 4 eV reproduces well the X-ray photoelectron and X-ray resonant emission spectral data. [ABSTRACT FROM AUTHOR]

Published
2004
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