Related papers: Charge ordering in a pure spin model: dipolar spin…
We present the results of finite-temperature classical Monte Carlo simulations of a strongly spin-orbit-coupled nearest-neighbor triangular-lattice model for the candidate $\mathrm{U}(1)$ quantum spin liquid $\mathrm{YbMgGaO}_4$ at large…
Ab initio band theory including correlations due to intra-atomic repulsion is applied to study charge disproportionation and charge- and spin-ordering in insulating Na$_{0.5}$CoO$_2$. Various ordering patterns (zigzag and two striped) for…
It was recently discovered that in spite of the scalar nature of its order parameter, the charge order in 1T-TiSe2 can be chiral. This is made possible by the emergence of orbital order in conjunction with the charge density modulations.…
We present elastic and quasielastic neutron scattering measurements characterizing peculiar short-range charge-orbital and spin order in the layered perovskite material La1.5Sr0.5CoO4. We find that below Tc~750 K holes introduced by Sr…
To the Hubbard model on a square lattice we add an interaction, $W$, which depends upon the square of a near-neighbor hopping. We use zero temperature quantum Monte Carlo simulations on lattice sizes up to $16 \times 16$, to show that at…
Motivated by the recent developments on cluster Mott insulating materials such as the cluster magnet LiZn$_2$Mo$_3$O$_8$, we consider the strong plaquette charge ordered regime of the extended Hubbard model on a breathing Kagome lattice and…
The charge ordering transition in the layer compound NaV2O5 is studied by means of exact diagonalization methods for finite systems. The 2-leg ladders of the V-Trellis lattice are associated with one spin variable of the vanadium…
The concept of magnetic polaron is analysed and developed to elucidate the nature of itinerant charge carrier states in magnetic semiconductors and similar complex magnetic materials. By contrasting the scattering and bound states of…
We provide a first-principle, materials-specific theory of multipolar order and superexchange in NpO$_2$ by means of a non-collinear local-density approximation +$U$ (LDA+$U$) method. Our calculations offer a precise microscopic description…
We demonstrate the feasibility of performing sufficient configurational sampling of disordered oxides directly from first principles without resorting to the use of fitted models such as cluster expansion. This is achieved by harnessing the…
We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…
A model of CuO$_2$ planes of cuprate perovskites, containing $d_{x^2-y^2}$ copper orbitals and symmetric combinations of oxygen $p_\sigma$ orbitals, is investigated using the strong coupling diagram technique. This approach allows one to…
We present non-equilibrium physics in spin ice as a novel setting which combines kinematic constraints, emergent topological defects, and magnetic long range Coulomb interactions. In spin ice, magnetic frustration leads to highly degenerate…
What happens to spin-polarised electrons when they enter a superconductor? Superconductors at equilibrium and at finite temperature contain both paired particles (of opposite spin) in the condensate phase as well as unpaired,…
We develop a drift-diffusion equation that describes electron spin polarization density in two-dimensional electron systems. In our approach, superpositions of spin-up and spin-down states are taken into account, what distinguishes our…
We consider the two dimensional (2D) classical lattice Coulomb gas as a model for magnetic field induced vortices in 2D superconducting networks. Two different dynamical rules are introduced to investigate driven diffusive steady states far…
We realize a three-dimensional artificial spin ice of disconnected nanomagnets interacting solely via dipolar coupling, patterned on square pyramids. This Pyramid artificial spin ice, with both tilted and in-plane nanomagnets, supports…
We present a generalized extension of the recently developed electron/hole-transfer Dynamically-weighted State-Averaged Constrained CASSCF (eDSC/hDSC) method to model charge transfer in the presence of spin-orbit coupling (SOC) for systems…
Stripe order is a prominent feature in the phase diagram of the high-temperature cuprate superconductors. It has been confirmed as the lowest-energy state of the two-dimensional Fermi Hubbard model in certain parameter regimes. Upon…
In this work, we employed Monte Carlo simulations to study the Ising, $XY$, and Heisenberg models on a simple cubic lattice, where the system models evolve toward the steady state under the influence of competition between one- and two-spin…