2 research outputs found
Polarized x-ray absorption spectra of CuGeO3 at the Cu and Ge K edges
Polarized x-ray absorption near edge structure (XANES) spectra at both the Cu
and the Ge K-edges of CuGeO3 are measured and calculated relying on the
real-space multiple-scattering formalism within a one-electron approach. The
polarization components are resolved not only in the unit cell coordinate
system but also in a local frame attached to the nearest neighborhood of the
photoabsorbing Cu atom. In that way, features which resist a particular
theoretical description can be identified. We have found that it is the
out-of-CuO4-plane p_{z'} component which defies the one-electron calculation
based on the muffin-tin potential. For the Ge K-edge XANES, the agreement
between the theory and the experiment appears to be better for those
polarization components which probe more compact local surroundings than for
those which probe regions with lower atomic density. Paper published in Phys.
Rev. B 66, 155119 (2002) and available on-line at
http://link.aps.org/abstract/PRB/v66/e155119.Comment: 15 pages, 6 figures. Published in Physical Review B, abstract
available on-line at http://link.aps.org/abstract/PRB/e15511