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Title: Optical studies of gap, hopping energies, and the Anderson-Hubbard parameter in the zigzag-chain compound SrCuO2
Authors: Popovic, ZV ×
Ivanov, VA
Konstantinovic, MJ
Cantarero, A
Martinez-Pastor, J
Olguin, D
Alonso, MI
Garriga, M
Khuong, OP
Vietkin, A
Moshchalkov, Victor #
Issue Date: 2001
Publisher: AMERICAN PHYSICAL SOC
Series Title: Physical review. B, Condensed matter and materials physics vol:63 issue:16 pages:art. no.-165105
Abstract: We have investigated the electronic structure of the zig-zag 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 noncorrelated 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 SrCuO2 belongs to the correlated-gap insulators.
ISSN: 1098-0121
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Solid State Physics and Magnetism Section
× corresponding author
# (joint) last author

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