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

Abstract

Motivated by an early experimental study of VOSeO3, which suggested that it is a quasi-2D 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-1/2 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.

4 pages, 5 figures

References in corpus (1)

• Comparative study between two quantum spin systems KCuCl${}_3$ and TlCuCl${}_3$

Cited by in corpus (6)

• Electronic Structure and Exchange Interactions of Na${}_2$V${}_3$O${}_7$
• Magnetic properties of the low-dimensional spin-1/2 magnet α-Cu_2As_2O_7
• Unusual ferromagnetic superexchange in CdVO3: The role of Cd
• Magnetic Excitation Spectrum of the Square Lattice S=1/2 Heisenberg Antiferromagnet K2V3O8
• Quasi-2D $J_1$-$J_2$ Antiferromagnet $Z{n}_{2}VO(P{O}_4{)}_2$ and its $Ti$-substituted Derivative - A Spin-wave Analysis
• Neutron scattering evidence for two-dimensionally coupled spin-dimerized antiferromagnetic lattice in α-Cu2P2O7