# Electronic structure of the zigzag spin-chain compound In$_2$VO$_5$

## TL;DR

This study uses band structure calculations to explore the electronic and magnetic properties of In$_2$VO$_5$, revealing ferromagnetic interactions contrary to expectations of antiferromagnetic frustration at room temperature.

## Contribution

First detailed band structure analysis of In$_2$VO$_5$ showing ferromagnetic couplings, challenging previous assumptions about its magnetic frustration.

## Key findings

- Both intrachain and interchain couplings are ferromagnetic.
- Experimental structure at room temperature is incompatible with antiferromagnetism.
- Frustration is unlikely at room temperature due to ferromagnetic interactions.

## 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 In$_2$VO$_5$. The essential structural feature of the system is a double chain of VO$_6$-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 calculations show that the experimental room temperature crystal structure is incompatible with antiferromagnetism. Both the intrachain and interchain coupling is found to be ferromagnetic.