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

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.

4 pages, 4 figures, 1 table

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Cited by in corpus (4)

• Magnetic ground state of coupled edge-sharing CuO_2 spin-chains
• Insulator to semiconductor transition and magnetic properties of the one-dimensional S = 1/2 system In_2VO_5
• Magnetic and thermal properties of the S = 1/2 zig-zag spin-chain compound In2VO5
• Triplet Dimerization Crossover Driven by Magnetic Frustration in In2VO5