Na2V3O7: a frustrated nanotubular system with spin-1/2 diamond ring geometry.
Following the recent discussion on the puzzling nature of the interactions in the nanotubular system Na(2)V(3)O(7), we present a detailed ab initio microscopic analysis of its electronic and magnetic properties. By means of a nontrivial downfolding study we propose an effective model in terms of tubes of nine-site rings with the geometry of a spin-diamond necklace with frustrated inter-ring interactions. We show that this model provides a quantitative account of the observed magnetic behavior.
Saha-Dasgupta
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S. N. Bose National Centre for Basic Sciences, JD Block, Sector 3, Salt Lake City, Kolkata, India.
Valentí
Roser
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Capraro
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Gros
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