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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…
We develop an approach to describe antiferromagnetic magnons on a bipartite lattice supporting the N\'{e}el state using fractionalized degrees of freedom typically inherent to quantum spin liquids. In particular we consider a long-range…
We propose a variant of the antiferromagnetic XY model on the triangular lattice to study the interplay between the chiral and nematic orders in addition to the magnetic order. The model has a significant bi-quadratic interaction of the…
Ground state and low-energy excitations of the quasi-one-dimensional antiferromagnet CuSe$_2$O$_5$ were experimentally studied using bulk magnetization, neutron diffraction, muon spin relaxation and antiferromagnetic resonance measurements.…
Muon spin rotation technique is used to study magnetic ordering in ultra-pure samples of SrCu$_{1-x}$Ni$_x$O$_2$, an archetypical $S=1/2$ antiferromagnetic Heisenberg chain system with a small amount of $S=1$ defects. The ordered state in…
We study weakly coupled antiferromagnetic spin chains in their ordered phase by combinining an exact solution of the single-chain problem with an RPA analysis of the interchain interaction. A single chain is described by a quantum…
We summarize our recent theoretical studies on the spin dynamics in the normal state of the metallic cuprates. The contrasting wave vector dependence of the dynamical spin structure factor $S({\bf q}, \omega )$ in LaSrCuO and YBaCuO systems…
We show that the magnetism of double perovskite AFe_{1/2}M_{1/2}O_3 systems may be described by the Heisenberg model on the simple cubic lattice, where only half of sites are occupied by localized magnetic moments. The nearest-neighbor…
Quantum phase transitions in the two-dimensional Kugel-Khomski model on a square lattice are studied using the plaquette mean field theory and the entanglement renormalization ansatz. When $3z^2-r^2$ orbitals are favored by the crystal…
LiCuVO$_4$ is a model system of a 1D spin-1/2 chain that enters a planar spin-spiral ground state below its N\'eel temperature of 2.4 K due to competing nearest and next nearest neighbor interactions. The spin-spiral state is multiferroic…
Coupled frustrated spin-1/2 chains in high magnetic fields described within the ferro- antiferromagnetic J1-J2 Heisenberg model are studied by the DMRG, the hard core boson, and the spin wave theory approaches. Multipolar phases related to…
Charge ordering in the low-temperature monoclinic structure of iron oxoborate (Fe2OBO3) is investigated using the local spin density approximation (LSDA)+U method. While the difference between t_{2g} minority occupancies of Fe^{2+} and…
Novel magnetic phases are expected to occur in highly frustrated spin systems. Here we study the structurally perfect kagom\'e antiferromagnet CdCu$_3$(OH)$_6$(NO$_3$)$_2\cdot$H$_2$O by magnetization, magnetic torque, and heat capacity…
We report a new peculiar effect of the interaction between a sublattice of frustrated quantum spin-1/2 chains and a sublattice of pseudospin-1/2 centers (quantum electric dipoles) uniquely co-existing in the complex oxide Li2ZrCuO4. 7Li…
We present a microscopic magnetic model for the spin-liquid candidate volborthite Cu3V2O7(OH)2(H2O)2. The essentials of this DFT-based model are (i) the orbital ordering of Cu(1) 3d 3z2-r2 and Cu(2) 3d 3x2-y2, (ii) three relevant couplings…
From thermodynamics, LSDA+U calculations and exact diagonalization studies of a five-band Hubbard (Cu 3d, O 2p) model on CuO2 stripes we found that Li2ZrCuO4 (Li2CuZrO4 in traditional notation) is close to a ferromagnetic critical point.…
We present the magnetic phase diagram of a spin-1/2 chain antiferromagnet Sr$_2$CuO$_3$ studied by ultrasound phase-sensitive detection technique. We observe an enhanced effect of external magnetic field on the ordering temperature of the…
In a frustrated J_1-J_2 chain with the nearest-neighbor ferromagnetic interaction J_1 and the next-nearest-neighbor antiferromagnetic interaction J_2, novel magnetic states such as a spin-nematic state are theoretically expected. However,…
The stable magnetisation configurations of antiferromagnets on quasiperiodic tilings are investigated theoretically. The exchange coupling is assumed to decrease exponentially with the distance between magnetic moments. It is demonstrated…
We present specific-heat and neutron-scattering results for the \emph{S}=1/2 quantum antiferromagnet (dimethylammonium)(3,5-dimethylpyridinium)CuBr$_4$. The material orders magnetically at \emph{T}$_N$=1.99(2)\,K, and magnetic excitations…