Electronic and magnetic structure of CsV$_2$O$_5$

Details Electronic and magnetic structure of CsV$_2$O$_5$ Electronic and magnetic structure of CsV$_2$O$_5$

2001-10-16

arxiv.org/abs/cond-mat/0110311v2

Phys. Rev. B, 65 (2002) 144445

Physics

Condensed Matter

revised version. To appear in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.65.144445

We have studied the electronic structure of the spin-gapped system CsV$_2$O$_5$ by means of an ab initio calculation. Our analysis and a re-examination of the susceptibility data indicate that the behavior of this system is much closer to that of an alternating spin-1/2 antiferromagnetic chain with significant inter-dimer coupling and weaker inter-chain couplings than that of isolated dimers as was initially proposed. Comparison to the vanadate family members $\alpha '$-NaV$_2$O$_5$, $\gamma$-LiV$_2$O$_5$ and isostructural compounds like (VO)$_{2}$P$_{2}$O$_{7}$ (VOPO) is discussed.

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