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

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

Orbital Order Effect of Two-Dimensional Spin Gap System for CaV4O9

Effects of possible orbital order in magnetic properties of two-dimensional spin gap system for CaV$_4$O$_9$ are investigated theoretically. After analyzing experimental data, we show that single orbital models assumed in the literature are insufficient to reproduce the data. To understand the origin of the discrepancy, we assume that in $d^1$ state of V, $d_{xz}$ and $d_{yz}$ orbitals have substantial contributions in the lowest-energy atomic level which leads to a double-degeneracy. We study possible configurations of the orbital order. By exact diagonalization and perturbation expansion, we calculate the susceptibility, wavenumber dependence of low-lying excitations and equal-time spin-spin correlations which is related to integrated intensity of the neutron inelastic scattering. These quantities sensitively depend on the configuration of the orbital order. The calculated results for some configurations of the orbital order reproduce many experimental results much better than the previous single-orbital models. However some discrepancy still remains to completely reproduce all of the reported experimental results. To understand the origin of these discrepancies, we point out the possible importance of the partially occupied $d_{xy}$ orbital in addition to orbital order of partially filled $d_{xz}$ and $d_{yz}$ orbitals.Comment: 19 pages LATEX, 15 postscript figures, using jpsj.sty,to be published in J.Phys.Soc.Jpn. Vol.67 No.2 (1998

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

Effects of Possible ΔB=−ΔQ\Delta B =- \Delta Q Transitions in Neutral BB Meson Decays}

We explore the possibility that the existing data on like-sign dileptons at the $\Upsilon (4S)$ resonance consist of events arising from $B_{d}^0 -\bar B_{d}^0$ mixing and also from $\Delta B = - \Delta Q$ transitions. The consequences of these nonstandard transitions for certain time-asymmetries which are likely to be measured at the $B$ factories are studied.Comment: {\LARGE \bf 10 pages, no figures, process using latex, TIFR/TH/93-5

Isgur - Wise Functions for Confined Light Quarks in a Colour Electric Potential

We explore the influence on the Isgur-Wise function of the colour electric potential between heavy and light quarks in mesons. It is shown that in bag models, its inclusion tends to restore light quark flavour symmetry relative to the MIT bag predictions, and that relative to this model it flattens the Isgur-Wise function. Results compare very well with observations.Comment: 9 pages, 1 figure (available upon request), Latex, TPJU - 4/9

Phenomenology of Hybrid Scenarios of Neutrino Dark Energy

We study the phenomenology of hybrid scenarios of neutrino dark energy, where in addition to a so-called Mass Varying Neutrino (MaVaN) sector a cosmological constant (from a false vacuum) is driving the accelerated expansion of the universe today. For general power law potentials we calculate the effective equation of state parameter w_{eff}(z) in terms of the neutrino mass scale. Due to the interaction of the dark energy field (acceleron) with the neutrino sector, w_{eff}(z) is predicted to become smaller than -1 for z>0, which could be tested in future cosmological observations. For the considered scenarios, the neutrino mass scale additionally determines which fraction of the dark energy is dynamical, and which originates from the cosmological constant like vacuum energy of the false vacuum. On the other hand, the field value of the acceleron field today as well as the masses of the right-handed neutrinos, which appear in the seesaw-type mechanism for small neutrino masses, are not fixed. This, in principle, allows to realise hybrid scenarios of neutrino dark energy with a high-scale seesaw where the right-handed neutrino masses are close to the GUT scale. We also comment on how MaVaN Hybrid Scenarios with high-scale seesaw might help to resolve stability problems of dark energy models with non-relativistic neutrinos.Comment: 22 pages, 5 figures; references and comments added; version to be published in JCA

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

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

Evidence for electronically-driven ferroelectricity in the family of strongly correlated dimerized BEDT-TTF molecular conductors

By applying measurements of the dielectric constants and relative length changes to the dimerized molecular conductor $\kappa$-(BEDT-TTF)$_2$Hg(SCN)$_2$Cl, we provide evidence for order-disorder type electronic ferroelectricity which is driven by charge order within the (BEDT-TTF)$_2$ dimers and stabilized by a coupling to the anions. According to our density functional theory calculations, this material is characterized by a moderate strength of dimerization. This system thus bridges the gap between strongly dimerized materials, often approximated as dimer-Mott systems at 1/2 filling, and non- or weakly dimerized systems at 1/4 filling exhibiting charge order. Our results indicate that intra-dimer charge degrees of freedom are of particular importance in correlated $\kappa$-(BEDT-TTF)$_2$X salts and can create novel states, such as electronically-driven multiferroicity or charge-order-induced quasi-1D spin liquids.Comment: 6 pages, 4 figures + Supplementary Information (8 pages, 8 figures