相关论文: Structural Aspects of Magnetic Coupling in CaV4O9

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…

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 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…

The quasi 2-d spin 1/2 materials CaV_nO_2n+1 (n=2,3,4) are often treated as systems in which quantum effects play a dominant role: CaV_2O_5 has a spin gap and is thought to be a spin ladder; CaV_3O_7 has unusual long-range magnetic order…

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…

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…

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…

Recent measurements on MgV$_2$O$_4$ single crystal have reignited the debate on the role of spin-orbit (SO) coupling in dictating the orbital order in Vanadium spinel systems. Density functional theory calculations were performed using the…

We consider a simplified model of the magnetic structure of the two-dimensional compound $CaV_4O_9$ in terms of interacting square plaquettes of spins with two distinct antiferromagnetic exchange constants. We analyze the competition…

Neutron spectroscopy was applied to study the magnetic interactions of orbitally degenerate Co$^{2+}$ on a host MgO rocksalt lattice where no long range spin or orbital order exists. The paramagnetic nature of the substituted monoxide…

The electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the recently proposed novel cuprate Cu$_2$F$_5$. Using the DFT+U calculation, it is shown that the compound is formed by…

Neutron scattering experiments reveal that a diagonal spin modulation, which is a one-dimensional modulation rotated away by 45$^\circ$ from that in the superconducting phase, occurs universally across the insulating spin-glass phase in…

The low-temperature electronic and magnetic properties of NH$_4$V$_2$O$_5$, an isoelectronic analog of the spin-ladder compound $\alpha'$-NaV$_2$O$_5$, are investigated using DFT+$U$ calculations. Two charge-ordering patterns - zigzag and…

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…

Neutron powder diffraction experiments reveal that Co4Nb2O9 forms a noncollinear in-plane magnetic structure with Co2+ moments lying in the ab plane. The spin-wave excitations of this magnet were measured by using inelastic neutron…

A microscopic magnetic model for alpha-Cu2P2O7 is evaluated in a combined theoretical and experimental study. Despite a dominant intradimer coupling J1, sizable interdimer couplings enforce long-range magnetic ordering at T_N=27 K. The spin…

We report on the crystal structure and magnetic behavior of the spin-1/2 compound AgVOAsO4. Magnetic susceptibility, high-field magnetization, and electron spin resonance measurements identify AgVOAsO4 as a gapped quantum magnet with a spin…

Two perovskite-derived materials, CaCu3Mn4O12 and CaCu3Ti4O12, have drawn much recent interest due to their magnetoresistive, dielectric, and magnetoelectronic characteristics. Here we present initial theoretical insights into each of these…

A theoretical model is presented to explain the spin gap observed for CaV$_4$O$_9$. The underlying lattice of the 1/5-depleted square lattice favors a formation of plaquette resonating valence bond state. Inclusion of the frustrating second…

The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…