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- W2095965260 abstract "We determine the electronic structure of the one-dimensional spin- $frac{1}{2}$ Heisenberg compound $ensuremath{gamma}ensuremath{-}{mathrm{LiV}}_{2}{mathrm{O}}_{5}$, which has two inequivalent vanadium ions, V(1) and V(2), via density-functional calculations. We find a relative V(1)-V(2) charge ordering of roughly 70:30. We discuss the influence of the charge ordering on the electronic structure and the magnetic behavior. We give estimates of the basic hopping matrix elements and compare with the most studied ${ensuremath{alpha}}^{ensuremath{'}}ensuremath{-}{mathrm{NaV}}_{2}{mathrm{O}}_{5}$." @default.
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- W2095965260 date "2001-06-04" @default.
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- W2095965260 title "Modeling the Electronic Behavior of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi mathvariant=italic>γ</mml:mi><mml:mi>−</mml:mi><mml:mrow><mml:msub><mml:mrow><mml:mi>LiV</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi>O</mml:mi></mml:mrow><mml:mrow><mml:mn>5</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: A Microscopic Study" @default.
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- W2095965260 doi "https://doi.org/10.1103/physrevlett.86.5381" @default.
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