Helmut Eschrig, (IFW-Dresden), Exchange Coupling in Spin Ladder Compounds

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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