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

Abstract

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 ${\alpha }^{\prime }$-NaV${}_2$O${}_5$, $\gamma$-LiV${}_2$O${}_5$ and isostructural compounds like (VO)${}_2$P${}_2$O${}_7$ (VOPO) is discussed.

revised version. To appear in Phys. Rev. B

References in corpus (4)

• Muffin Tin Orbitals of Arbitrary Order
• Evidence for an unconventional magnetic instability in the spin-tetrahedra system Cu_2Te_2O_5Br_2
• Modeling the electronic behavior of $\gamma$-LiV2O5: a microscopic study
• Charge excitations in LiV${}_2$O${}_5$ and NaV${}_2$O${}_5$: similarities and differences

Cited by in corpus (7)

• Microscopic magnetic modeling for the $S$=1/2 alternating chain compounds Na${}_3$Cu${}_2$SbO${}_6$ and Na${}_2$Cu${}_2$TeO${}_6$
• Magnetic properties of the low-dimensional spin-1/2 magnet α-Cu_2As_2O_7
• Na2V3O7, a frustrated nanotubular system with spin-1/2 diamond rings
• Magnetic Excitation Spectrum of the Square Lattice S=1/2 Heisenberg Antiferromagnet K2V3O8
• Proposed low energy model Hamiltonian for spin-gapped system CuTe2O5
• Ab initio investigation of VOSeO3, a spin gap system with coupled spin dimers
• Cu-based metalorganic systems: an ab initio study of the electronic structure