Abstract
Band-structure calculations within the local spin-density approximation are presented in order to investigate the electronic and magnetic properties of the zigzag spin-chain compound ${\mathrm{In}}_{2}\mathrm{V}{\mathrm{O}}_{5}$. The essential structural feature of the system is a double chain of $\mathrm{V}{\mathrm{O}}_{6}$ octahedra, which leads to competing intrachain and interchain magnetic couplings. Frustration of the spin chains is expected for the proposed antiferromagnetic ordering at low temperatures. However, the band-structure calculations indicate that the experimental room-temperature crystal structure are incompatible with antiferromagnetism. Both the intrachain and interchain couplings are found to be ferromagnetic.
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