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.

• Received 24 March 2007

DOI:https://doi.org/10.1103/PhysRevB.75.212408