Influence of the Coulomb parameter U on partial densities of states of CuGeO3: Comparison with X-ray spectral data

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

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

The electronic structure of the strongly Coulomb correlated cuprate CuGeO3 has been calculated by the local-density-approximation method (LDA+U). The parameter U was 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 Lαa and 0 Kα X-ray emission spectra). It is established that a LDA+U calculation with U = 4 eV reproduces well the X-ray photoelectron and X-ray resonant emission spectral data.

Original languageEnglish
Pages (from-to)295-300
Number of pages6
JournalEuropean Physical Journal B
Volume41
Issue number3
DOIs
Publication statusPublished - Oct 2004
Externally publishedYes

Fingerprint

Dive into the research topics of 'Influence of the Coulomb parameter U on partial densities of states of CuGeO3: Comparison with X-ray spectral data'. Together they form a unique fingerprint.

Cite this