ISSN:
1434-6036
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
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 L $\alpha$ and O K $\alpha$ 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1140/epjb/e2004-00320-9