Related papers: Tests of magnetic Hamiltonians for CaV_4O_9
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…
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 $C/T$,…
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 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…
A model Hamiltonian representing the Cu spins in La$_2$CuO$_4$ in its low-temperature body-centred orthorhombic phase, that includes both spin-orbit generated Dzyaloshinskii-Moriya interactions and interplanar exchange, is examined within…
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…
We develop a simple and unbiased numerical method to obtain the uniform susceptibility of quantum many body systems. When a Hamiltonian is spatially deformed by multiplying it with a sine square function that smoothly decreases from the…
The magnetic susceptibility of the quarter-filled one-dimensional extended Hubbard model is calculated using the density-matrix renormalization group technique. It is found that in the charge gap regime of the model ($U> 4t $ and $V > 2t$),…
Although magnetic frustration in metals provides a promising avenue for novel quantum phenomena, their microscopic interpretation is often challenging. Here we use the face-centered cubic intermetallic HoInCu$_4$ as model material to show…
We compute the magnetic susceptibility and specific heat of the spin-1/2 Heisenberg model on the kagome lattice with high-temperature expansions and exact diagonalizations. We compare the results with the experimental data on ZnCu3(OH)6Cl2…
We study the zero-temperature spin fluctuations of a two-dimensional itinerant-electron system with an incommensurate magnetic ground state described by a single-band Hubbard Hamiltonian. We introduce the (broken-symmetry) magnetic phase at…
We present a theoretical model for CaV$_3$O$_7$: the $1/4$-depleted square spin-$1/2$ Heisenberg model which includes both the nearest-neighbor coupling ($J$) and the next-nearest-neighbor coupling ($J'$), where $J$ and $J'$ are…
Inelastic neutron scattering is used to investigate magnetic excitations in the quasi-one-dimensional quantum spin-liquid system Cu2Cl4 D8C4SO2. Contrary to previously conjectured models that relied on bond-alternating nearest neighbor…
To study non-Heisenberg effects in the vicinity of spin crossover in strongly correlated electron systems we derive an effective low-energy Hamiltonian for the two-band Kanamori model. It contains Heisenberg high-spin term proportional to…
The frustrated magnet Bi2Fe4O9 has been reported to exhibit complex spin dynamics coexisting with conventional spin wave excitations. The magnetic Fe3+ (S = 5/2) ions are arranged into a distorted two-dimensional Cairo pentagonal lattice…
We compute dynamic spin susceptibilities in the two-dimensional Hubbard model using the method of Dual Fermions and provide comparison to lattice Monte Carlo and cluster dynamical mean field theory. We examine the energy dispersion…
By utilizing a multi-orbital periodic Anderson model with parameters obtained from \textit{ab initio} band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that…
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…
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 magnetic susceptibility of the classical Heisenberg antiferromagnet with nearest-neighbour interactions on the geometrically frustrated pyrochlore lattice, for a pure system and in the presence of dilution with…