Abstract

The electronic structure of the prototypical linear chain cuprate Sr 2CuO 3 is studied theoretically by exact diagonalizations (ED) for clusters within the framework of generalized pd-modes as well as by bandstructure calculations. From the 4- and 7-band analysis of the Sr 2CuO 3 band structure, enhanced values of CuO transfer integrals have been derived. The results are compared with polarization dependent O 1 s x-ray absorption spectroscopy measurements (XAS) [1]. From the observed anisotropy of the XAS intensities significanty enhanced values of the intersite Coulomb interactions V pd and V dd compared with typical layered cuprates can be deduced.

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