Aug 19, 1999
Exchange Coupling in Spin Ladder Compounds
Helmut Eschrig, (IFW-Dresden)
The electronic structure of the undoped cuprate chain systems
Bi2CuO4,
Sr2CuO3, Ca2CuO3, GeCuO3,
Li2CuO2, SrCuO, and of
NaV2O5 is obtained by density functional calculations in a
local orbital basis, with LDA or LDA+U, and the relevant thight binding models
are derived. With reasonable guesses of U-values, exchange constants can be
inferred. Capabilities and limitations of the density functional approach to
this field are discussed.
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