115 research outputs found
Spin Gap of Two-Dimensional Antiferromagnet Representing CaVO
We examined a two-dimensional Heisenberg model with two kinds of exchange
energies, and . This model describes localized spins at vanadium
ions in a layer of CaVO, for which a spin gap is found by a recent
experiment. Comparing the high temperature expansion of the magnetic
susceptibility to experimental data, we determined the exchange energies as
610 K and 150 K. By the numerical diagonalization we
estimated the spin gap as 120 K, which consists
with the experimental value 107 K. Frustration by finite enhances the
spin gap.Comment: 12 pages of LaTex, 4 figures availavule upon reques
Magnetic properties of NaV2O5, a one-dimensional spin 1/2 antiferromagnet with finite chains
We have performed measurements of the magnetic susceptibility of NaVO
between 2 and 400 K. The high temperature part is typical of spin 1/2 chains
with a nearest--neighbour antiferromagnetic exchange integral of 529 K. We
develop a model for the susceptibility of a system with finite chains to
account for the low temperature part of the data, which cannot be fitted by a
standard Curie-Weiss term. These results suggest that the next
nearest--neighbour exchange integral in CaVO should be of the
order of 500 K because, like in NaVO, it corresponds to corner
sharing VO square pyramids.Comment: An early version of the manuscript was mistakenly submitted. Although
relatively minor, the changes concern the list of authors, the main text, the
references and the figure captions. 10 pages of latex, 2 figure
On the presence of mid-gap states in CaV4O9
Using exact diagonalizations of finite clusters with up to 32 sites, we study
the model on the 1/5 depleted square lattice. Spin-spin correlation
functions are consistent with plaquette order in the spin gap phase which
exists for intermediate values of . Besides, we show that singlet
states will be present in the singlet-triplet gap if is not too small
(). We argue that this property should play a central
role in determining the exchange integrals in Comment: 4 pages, 5 postscript figure
Phase Diagram of the S = 1/2 Frustrated Coupled Ladder System
We present a theoretical study of the magnetic phase diagram of the
frustrated coupled ladder structure realized recently in several materials.
This system displays a nondegenerate spin-gap state in the dimer limit and an
infinitely degenerate spin-gap state in the regime of weakly-coupled zig-zag
chains. Between these we demonstrate the existence of gapless, magnetically
ordered regions whose order is antiferromagnetic close to the honeycomb lattice
limit, and incommensurate along the chains when all three magnetic interactions
compete.Comment: 5 pages, RevTeX; 5 .eps figure
Magnetic Susceptibility for
We examine experimental magnetic susceptibility for
CaVO by fitting with fitting function .
The function is a power series of 1/T and the lowest order
term is fixed as , where is the Curie constant as determined by the
experimental -value (g=1.96). Fitting parameters are , and
expansion coefficients except for the first one in .
We determine and as 0.73 and 0 for an
experimental sample. We interpret as the volume fraction of
CaVO in the sample and as the susceptibility for the
pure CaVO. The result of means that the sample includes
nonmagnetic components. This interpretation consists with the result of a
perturbation theory and a neutron scattering experiment.Comment: 4pages, 4figure
Ab Initio Calculation of Spin Gap Behavior in CaV4O9
Second neighbor dominated exchange coupling in CaV4O9 has been obtained from
ab initio density functional (DF) calculations. A DF-based self-consistent
atomic deformation model reveals that the nearest neighbor coupling is small
due to strong cancellation among the various superexchange processes. Exact
diagonalization of the predicted Heisenberg model yields spin-gap behavior in
good agreement with experiment. The model is refined by fitting to the
experimental susceptibility. The resulting model agrees very well with the
experimental susceptibility and triplet dispersion.Comment: 4 pages; 3 ps figures included in text; Revte
Spin-Peierls states of quantum antiferromagnets on the lattice
We discuss the quantum paramagnetic phases of Heisenberg antiferromagnets on
the 1/5-depleted square lattice found in . The possible phases of
the quantum dimer model on this lattice are obtained by a mapping to a
quantum-mechanical height model. In addition to the ``decoupled'' phases found
earlier, we find a possible intermediate spin-Peierls phase with
spontaneously-broken lattice symmetry. Experimental signatures of the different
quantum paramagnetic phases are discussed.Comment: 9 pages; 2 eps figure
NaV_2O_5 as a quarter-filled ladder compound
A new X-ray diffraction study of the one-dimensional spin-Peierls compound
\alpha-NaV_2O_5 reveals a centrosymmetric (Pmmn) crystal structure with one
type of V site, contrary to the previously postulated non-centrosymmetric
P2_1mn structure with two types of V sites (V^{+4} and V^{+5}). Density
functional calculations indicate that NaV_2O_5 is a quarter-filled ladder
compound with the spins carried by V-O-V molecular orbitals on the rungs of the
ladder. Estimates of the charge-transfer gap and the exchange coupling agree
well with experiment and explain the insulating behavior of NaV_2O_5 and its
magnetic properties.Comment: Final version for PRL, value of U correcte
- …