Optical studies of gap, hopping energies and the Anderson-Hubbard parameter in the zigzag-chain compound SrCuO2

Details Optical studies of gap, hopping energies and the Anderson-Hubbard parameter in the zigzag-chain compound SrCuO2 Optical studies of gap, hopping energies and the Anderson-Hubbard parameter in the zigzag-chain compound SrCuO2

2001-01-19

arxiv.org/abs/cond-mat/0101302v1

Phys. Rev. B 63, 165105 (2001)

Physics

Condensed Matter

Strongly Correlated Electrons

24 pages, 8 figures, to be published in Phys.Rev.B

Scientific paper

10.1103/PhysRevB.63.165105

We have investigated the electronic structure of the zigzag ladder (chain) compound SrCuO2 combining polarized optical absorption, reflection, photoreflectance and pseudo-dielectric function measurements with the model calculations. These measurements yield an energy gap of 1.42 eV (1.77 eV) at 300 K along (perpendicular) to the Cu-O chains. We have found that the lowest energy gap, the correlation gap, is temperature independent. The electronic structure of this oxide is calculated using both the local-spin-density-approximation with gradient correction method, and the tight-binding theory for the correlated electrons. The calculated density of electronic states for non-correlated and correlated electrons shows quasi-one-dimensional character. The correlation gap values of 1.42 eV (indirect transition) and 1.88 eV (direct transition) have been calculated with the electron hopping parameters t = 0.30 eV (along a chain), t_yz = 0.12 eV (between chains) and the Anderson-Hubbard repulsion on copper sites U= 2.0 eV. We concluded that SrCuO_2 belongs to the correlated-gap insulators.

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