Related papers: Realization of a large J_2 quasi-2D spin-half Heis…
An explanation is provided for the heavy quasiparticle excitations in LiV_2O_4. It differs considerably from that of other known heavy-fermion systems. Main ingredients of our theory are the cubic spinel structure of the material and strong…
Based on density functional calculations, we present a detailed theoretical study of the electronic structure and the magnetic properties of the quasi-one dimensional chain cuprate Li_2ZrCuO_4 (Li_2CuZrO_4). For the relevant ratio of the…
We present a high-temperature expansion (HTE) of the magnetic susceptibility and specific heat data of Melzi et al. on Li2VOSiO4 [Phys. Rev. B 64, 024409 (2001)]. The data are very well reproduced by the J1-J2 Heisenberg model on the square…
The minimal model to describe many spin chain materials with ferroelectric properties is the Heisenberg model with ferromagnetic nearest neighbor coupling J1 and antiferromagnetic next-nearest neighbor coupling J2. Here we study the…
We consider the square lattice Heisenberg antiferromagnet with plaquette ring exchange and a finite interlayer coupling leading to a consistent description of the spin-wave excitation spectrum in La2CuO4. The values of the in-plane exchange…
The spin 1/2 Heisenberg model on a square lattice with antiferromagnetic nearest- and next-nearest neighbour interactions (the $J_1$--$J_2$ model) has long been studied as a paradigm of a two-dimensional frustrated quantum magnet. Only very…
A microscopic magnetic model for the spin-1/2 Heisenberg chain compound CuSe2O5 is developed based on the results of a joint experimental and theoretical study. Magnetic susceptibility and specific heat data give evidence for quasi-1D…
We study the thermodynamics of the spin-$S$ two-dimensional quantum Heisenberg antiferromagnet on the square lattice with nearest ($J_1$) and next-nearest ($J_2$) neighbor couplings in its collinear phase ($J_2/J_1>0.5$), using the…
We use first principles density functional theory to calculate electronic and magnetic properties of TiF3 using the full potential linearized augmented plane wave method. The LDA approximation predicts a fully saturated ferromagnetic metal…
Pulsed-field magnetization experiments (fields $B$ of up to 85 T and temperatures $T$ down to 0.4 K) are reported on nine organic Cu-based two-dimensional (2D) Heisenberg magnets. All compounds show a low-$T$ magnetization that is concave…
NMR and magnetization measurements in Li$_2$VOSiO$_4$ and Li$_2$VOGeO$_4$ are reported. The analysis of the susceptibility shows that both compounds are two-dimensional $S=1/2$ Heisenberg antiferromagnets on a square lattice with a sizeable…
In this study, we present non-linear spin wave analysis of a quasi 2D spin-$\frac{1}{2}$ $J_1-J_2$ antiferromagnet at the parameter regime relevant for the recently studied compound $Zn_2VO(PO_4)_2$. We obtain the temperature dependence of…
From first principles, we calculate the Heisenberg interactions between neighboring dimers in several compounds within the Et$_{n}$Me$_{4-n}X$[Pd(dmit)$_2$]$_2$ (Et = ethyl, Me = methyl, dmit = 2-thioxo-1,3-dithiole-4,5-dithiolate) family…
By using a numerically exact diagonalization technique and a block-extended version of the finite-temperature Lanczos method, we study thermodynamic properties of an $S=1/2$ Heisenberg model on the triangular lattice with an…
We study the quantum spin-1/2 Heisenberg model in two dimensions, interacting through a nearest-neighbor antiferromagnetic exchange ($J$) and a ferromagnetic dipolar-like interaction ($J_d$), using double-time Green's function, decoupled…
The spin-1/2 alternating Heisenberg chain system Na$_3$Cu$_2$SbO$_6$ features two relevant exchange couplings: $J_{1a}$ within the structural Cu$_2$O$_6$ dimers and $J_{1b}$ between the dimers. Motivated by the controversially discussed…
$^{75}$As NMR measurements were performed on a polycrystalline sample of spin-1/2 alternating-spin-chain Heisenberg antiferromagnet AgVOAsO$_4$. Temperature-dependent NMR shift $K(T)$, which is a direct measure of the intrinsic spin…
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…
BaMn2As2 is unique among BaT2As2 compounds crystallizing in the body-centered-tetragonal ThCr2Si2 structure, which contain stacked square lattices of 3d transition metal T atoms, since it has an insulating large-moment (3.9 muB/Mn) G-type…
We present extensive Monte Carlo simulations for a classical antiferromagnetic Heisenberg model with both nearest ($J_1$) and next-nearest ($J_2$) exchange couplings on the square lattice coupled to the lattice degrees of freedom. The…