Magnetic Susceptibility for CaV4O9CaV_4O_9

We examine experimental magnetic susceptibility $\chi^{tot}(T)$ for CaV$_4$O$_9$ by fitting with fitting function $\alpha \chi^{mag}(T) + c$. The function $\chi^{mag}(T)$ is a power series of 1/T and the lowest order term is fixed as $C/T$, where $C$ is the Curie constant as determined by the experimental $g$-value (g=1.96). Fitting parameters are $\alpha$, $c$ and expansion coefficients except for the first one in $\chi^{mag}(T)$. We determine $\alpha$ and $c$ as $\alpha \simeq$ 0.73 and $c\simeq$ 0 for an experimental sample. We interpret $\alpha$ as the volume fraction of CaV$_4$O$_9$ in the sample and $\chi^{mag}(T)$ as the susceptibility for the pure CaV$_4$O$_9$. The result of $\alpha \ne 1$ 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

On the presence of mid-gap states in CaV4O9

Using exact diagonalizations of finite clusters with up to 32 sites, we study the $J_1-J_2$ 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 $J_2/J_1$. Besides, we show that singlet states will be present in the singlet-triplet gap if $J_2/J_1$ is not too small ($J_2/J_1 \gtrsim 0.47$). We argue that this property should play a central role in determining the exchange integrals in ${\rm CaV}_4{\rm O}_9$Comment: 4 pages, 5 postscript figure

Exchange interactions and magnetic properties of the layered vanadates CaV2O5, MgV2O5, CaV3O7 and CaV4O9

We have performed ab-initio calculations of exchange couplings in the layered vanadates CaV2O5, MgV2O5, CaV3O7 and CaV4O9. The uniform susceptibility of the Heisenberg model with these exchange couplings is then calculated by quantum Monte Carlo method; it agrees well with the experimental measurements. Based on our results we naturally explain the unusual magnetic properties of these materials, especially the huge difference in spin gap between CaV2O5 and MgV2O5, the unusual long range order in CaV3O7 and the "plaquette resonating valence bond (RVB)" spin gap in CaV4O9

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

The Heisenberg model on the 1/5-depleted square lattice and the CaV4O9 compound

We investigate the ground state structure of the Heisenberg model on the 1/5-depleted square lattice for arbitrary values of the first- and second-neighbor exchange couplings. By using a mean-field Schwinger-boson approach we present a unified description of the rich ground-state diagram, which include the plaquette and dimer resonant-valence-bond phases, an incommensurate phase and other magnetic orders with complex magnetic unit cells. We also discuss some implications of ours results for the experimental realization of this model in the CaV4O9 compound.Comment: 4 pages, Latex, 7 figures included as eps file

Two-Dimensional Quantum Spin Systems with Ladder and Plaquette Structure

We investigate low-energy properties of two-dimensional quantum spin systems with the ladder and plaquette structures, which are described by a generalized antiferromagnetic Heisenberg model with both of the bond and spin alternations. By exploiting a non-linear $\sigma$ model technique and a modified spin wave approach, we evaluate the spin gap and the spontaneous magnetization to discuss the quantum phase transition between the ordered and disordered states. We argue how the spin-gapped phase is driven to the antiferromagnetic phase in the phase diagram.Comment: 8 pages (9 figures), accepted by JPS