相关论文: Ab Initio Calculation of Spin Gap Behavior in CaV4…

We have carried out a wide range of calculations for the $S=1/2$ Heisenberg model with nearest- and second-neighbor interactions on a two-dimensional lattice which describes the geometry of the vanadium ions in the spin-gap system…

The strong corrugation of the V4O9 layer in the spin gap system CaV4O9 is examined for its impact on the exchange coupling constants between the spin 1/2 V ions. Local spin density (LSD) calculations show that the V spin occupies a…

Magnetic susceptibility measured for CaV$_4$O$_9$ is analyzed by a method with high temperature expansion. The analysis is consistent with the $g$-value which is close to 2 and is observed by an ESR experiment. Four exchange parameters in a…

We study the origin of spin-gap in recently discovered material CaV$_4$O$_9$. We analyze the spin-$1/2$ Heisenberg model on the $1/5$ depleted square lattice with nearest neighbor (nn) and next nearest neighbor (nnn) interactions, in terms…

We investigate the mechanism of spin gap formation in a two-dimensional model relevant to Mott insulators such as CaV$_4$O$_9$. From the perturbation expansion and quantum Monte Carlo calculations, the origin of the spin gap is ascribed to…

The large-plaquette scenario of the spin gap in CaV4O9 is investigated on the basis of extensive exact diagonalizations. We confirm the existence of a large-plaquette phase in a wide range of parameters, and we show that the most recent…

We examined a two-dimensional Heisenberg model with two kinds of exchange energies, $J_e$ and $J_c$. This model describes localized spins at vanadium ions in a layer of CaV$_4$O$_9$, for which a spin gap is found by a recent experiment.…

The spin gap of a one-dimensional repulsive Hubbard model is numerically calculated with the density matrix renormalization group, with a special emphasis on the effect of a next-nearest neighbor hopping (t') and the nearest-neighbor…

We have numerically investigated the 1/5-depleted Heisenberg square lattice representing CaV4O9 using the Quantum Monte Carlo loop algorithm. We have determined the phase diagram of the model as a function of the ratio of the two different…

I report results of a density matrix renormalization group (DMRG) study of a model for the two dimensional spin-gapped system CaV$_4$O$_9$. This study represents the first time that DMRG has been used to study a two dimensional system on…

We calculate Heisenberg-type magnetic exchange interactions for SrMnO$_3$ under isotropic volume expansion using an approach that is based on total energy variations due to infinitesimal spin rotations around a given reference state. Our…

Accurate ab initio calculations on embedded Cu_4O_{12} square clusters, fragments of the La_2CuO_4 lattice, confirm a value of the nearest neighbor antiferromagnetic coupling (J=124 meV) previously obtained from ab initio calculations on…

The derivation of effective spin models describing the low energy magnetic properties of undoped CuO_2-planes is reinvestigated. Our study aims at a quantitative determination of the parameters of effective spin models from those of a…

We have used time-of-flight inelastic neutron scattering to measure the spin wave spectrum of the canonical half-doped manganite Pr$_{0.5}$Ca$_{0.5}$MnO$_{3}$, in its magnetic and orbitally ordered phase. The data, which cover multiple…

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…

In this article, we study the one dimensional Heisenberg spin-1/2 alternating bond chain in which the nearest neighbor exchange couplings are ferromagnetic (FM) and antiferromagnetic (AF) alternatively. By using exact diagonalization and…

Dynamic spin correlation function of the $S=1/2$ antiferromagnetic spin chain with alternating nearest neighbor and competing next nearest neighbor interactions is studied using the numerical diagonalization method. We find characteristics…

The spin dynamic of the metallic A-type antiferromagnetic manganites is studied. An effective nearest-neighbour Heisenberg spin wave dispersion is derived from the double exchange model taking into account the superexchange interaction…

Quantum gates between spin qubits can be implemented leveraging the natural Heisenberg exchange interaction between two electrons in contact with each other. This interaction is controllable by electrically tailoring the overlap between…

By considering two {\it ab initio}-based complementary approaches, we analyze the electronic structure and extract effective spin models of BaCo$_2$(AsO$_4$)$_2$, a honeycomb material which has been proposed as a candidate for Kitaev…