Ab initio investigation of VOSeO3: a spin gap system with coupled spin dimers

Valenti, Roser ; Saha-Dasgupta, T. ; Mila, F. (2003) Ab initio investigation of VOSeO3: a spin gap system with coupled spin dimers Physical Review B: Condensed Matter and Materials Physics, 68 (2). 024411_1-024411_4. ISSN 1098-0121

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Official URL: http://prb.aps.org/abstract/PRB/v68/i2/e024411

Related URL: http://dx.doi.org/10.1103/PhysRevB.68.024411

Abstract

Motivated by an early experimental study of VOSeO3, which suggested that it is a quasi-two-dimensional system of weakly coupled spin dimers with a small spin gap, we have investigated the electronic structure of this material via density-functional calculations. These ab initio results indicate that the system is better thought of as an alternating spin-½ chain with moderate interchain interactions, an analog of (VO)2P2O7. The potential interest of this system for studies in high magnetic field given the presumably small value of the spin gap is emphasized.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:65119
Deposited On:15 Oct 2011 11:53
Last Modified:15 Oct 2011 11:53

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