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Motivated by an early experimental study of VOSeO3, which suggested that itis a quasi-2D system of weakly coupled spin dimers with a small spin gap, wehave investigated the electronic structure of this material viadensity-functional calculations. These ab initio results indicate that thesystem is better thought of as an alternating spin-1/2 chain with moderateinterchain interactions, an analog of (VO)2P2O7. The potential interest of thissystem for studies in high magnetic field given the presumably small value ofthe spin gap is emphasized.Comment: 4 pages, 5 figure

physical review. b, condensed matter

<i>Ab initio</i>investigation of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">VOSeO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: A spin gap system with coupled spin dimers

Ab initioinvestigation ofVOSeO3: A spin gap system with coupled spin dimers