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Exchange couplings are calculated for Li2VOSiO4 using LDA. While the sum ofin-plane couplings J_1 + J_2 = 9.5 \pm 1.5 K and the inter-plane couplingJ_{perp} \sim 0.2 - 0.3 K agree with recent experimental data, the ratioJ_2/J_1 \sim 12 exceeds the reported value by an order of magnitude. Usinggeometrical considerations, high temperature expansions and perturbative meanfield theory, we show that the LDA derived exchange constants lead to aremarkably accurate description of the properties of these materials includingspecific heat, susceptibility, Neel temperature and NMR spectra.Comment: 4 two-column pages, 4 embedded postscript figure

physical review letters

Realization of a Large<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="italic">J</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Quasi-2D Spin-Half Heisenberg System:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>Li</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub…

Realization of a LargeJ2Quasi-2D Spin-Half Heisenberg System:Li2