Related papers: First principles perspective on the microscopic mo…
We investigate the electronic and magnetic properties of the frustrated triangular-lattice antiferromagnets Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$ in the framework of density functional theory. Analysis of the exchange couplings J and J' using…
Spin-1/2 Heisenberg antiferromagnets Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$ with distorted triangular-lattice structures are studied by means of electron spin resonance spectroscopy in magnetic fields up to the saturation field and above. In the…
We investigate the electronic structure of Cs$_2$CuCl$_4$, a material discussed in the framework of a frustrated quantum antiferromagnet, by means of resonant inelastic x-ray scattering (RIXS) and Density Functional Theory (DFT). From the…
We report a thorough theoretical study of the low temperature phase diagram of Cs_2CuCl_4, a spatially anisotropic spin S=1/2 triangular lattice antiferromagnet, in a magnetic field. Our results, obtained in a quasi-one-dimensional limit in…
Periodic and cluster density-functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…
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…
We use series expansion methods to study ground- and excited-state properties in the helically ordered phase of spin-1/2 frustrated antiferromagnets on an anisotropic triangular lattice. We calculate the ground state energy, ordering…
We study dynamical properties of the anisotropic triangular quantum antiferromagnet Cs_2CuCl_4. Inelastic neutron scattering measurements have established that the dynamical spin correlations cannot be understood within a linear spin wave…
We present detailed calculations of the magnetic ground state properties of Cs$_2$CuCl$_4$ in an applied magnetic field, and compare our results with recent experiments. The material is described by a spin Hamiltonian, determined with…
We report a study of the anisotropic exchange interactions in bulk CrO_2 calculated from first principles within density functional theory. We determine the exchange coupling energies, using both the experimental lattice parameters and…
We report on a systematic study of the magnetic properties on single crystals of the solid solution Cs$_2$CuCl$_{4-x}$Br$_x$ (0 $\leq$ x $\leq$ 4), which include the two known end-member compounds Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$,…
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…
Inelastic neutron scattering was used to study a quantum S=1/2 antiferromagnetic Heisenberg system-Bis(2-amino-5-fluoropyridinium) Tetrachlorocuprate(II). The magnetic excitation spectrum was shown to be dominated by long-lived excitations…
We present a study of the magnetic susceptibility $\chi_{mol}$ under variable hydrostatic pressure on single crystals of Cs$_2$CuCl$_{4-x}$Br$_x$. This includes the border compounds \textit{x} = 0 and 4, known as good realizations of the…
Magnetic excitations of the quasi-1D S=1/2 Heisenberg antiferromagnet (HAF) Cs2CuCl4 have been measured as a function of magnetic field using neutron scattering. For T<0.62 K and B=0 T the weak inter-chain coupling produces 3D…
The effect of orbital degrees of freedom on the exchange interactions in the spin-1 quasi-one-dimensional antiferromagnet CaV2O4 is systematically studied. For this purpose a realistic low-energy model with the parameters derived from the…
Powder X-ray diffraction (PXRD) and single-crystal neutron scattering were used to study in detail the structural properties of the Cs2CuCl(4-x)Br(x) series, good realizations of layered triangular antiferromagnets. Detailed…
The ground-state ordering and dynamics of the two-dimensional (2D) S=1/2 frustrated Heisenberg antiferromagnet Cs_2CuCl_4 is explored using neutron scattering in high magnetic fields. We find that the dynamic correlations show a highly…
Depending on the crystal growth conditions, an orthorhombic (O-type) or a tetragonal (T-type) structure can be found in the solid solution Cs2CuCl4-xBrx (0 < x < 4). Here we present measurements of the temperature-dependent magnetic…