Na2V3O7, a frustrated nanotubular system with spin-1/2 diamond rings

Details Na2V3O7, a frustrated nanotubular system with spin-1/2 diamond rings Na2V3O7, a frustrated nanotubular system with spin-1/2 diamond rings

2004-10-04

arxiv.org/abs/cond-mat/0410066v2

Phys. Rev. Lett. 95, 107201 (2005)

Physics

Condensed Matter

Materials Science

5 pages, 5 figures. Phys. Rev. Lett. (in press)

Scientific paper

10.1103/PhysRevLett.95.107201

Following the recent discussion on the puzzling nature of the interactions in the nanotubular system Na2V3O7, we present a detailed ab-initio microscopic analysis of its electronic and magnetic properties. By means of a non-trivial 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.

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