ISSN:
1573-7357
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The electronic structure of the prototypical corner-sharing Sr2CuO3 linear chain compound is investigated by combining several theoretical and experimental techniques. Band structure calculations within the local density approximation and using a local orbital basis provided the relevant orbitals and the transfer integrals for a four-band extended Hubbard pd-model, which was treated by means of exact diagonalization and of quantum Monte Carlo calculations for finite chain clusters. The band structure values of the transfer integrals t pd exceed the corresponding values for layered cuprates. Enhanced values of the intersite Coulomb interaction, V pd = 2 ... 2.5 eV, and a difference between the onsite energies of side and chain oxygen Δpp = 0.5 ... 0.75 eV are deduced from the comparison of the model studies with the intensities of polarization dependent x-ray absorption spectra. The latter reflect the hole distribution over the oxygen sites.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1022534103636
