相关论文: Ab initio analysis of the tight-binding parameters…

Recently, honeycomb cobaltates with 3$d^7$ were proposed to display Kitaev physics despite weak spin-orbit coupling. However, other theoretical and experimental works found leading XXZ Heisenberg and negligible Kitaev interactions in…

The exact solution of Kitaev's spin-$1/2$ honeycomb spin-liquid model has sparked an intense search for Mott insulators hosting bond-dependent Kitaev interactions, of which $\mathrm{Na}_{2}\mathrm{IrO}_{3}$ and $\alpha-\mathrm{RuCl}_{3}$…

Co$^{2+}$ ions in an octahedral crystal field, stabilise a j$_{eff}$ = 1/2 ground state with an orbital degree of freedom and have been recently put forward for realising Kitaev interactions, a prediction we have tested by investigating…

Topological spin textures, such as magnetic skyrmions, are a spectacular manifestation of magnetic frustration and anisotropy. Most known skyrmion systems are restricted to a topological charge of one, require an external magnetic field for…

Measurements by high-resolution electron energy-loss spectroscopy (HREELS) of NaxCoO2 reveal spectral features that differ remarkably between the metallic Na0.33CoO2 and the charge-ordered insulator Na0.5CoO2. Calculations by density…

Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit…

We derive an effective polaronic interaction Hamiltonian, {\it exact to second order in perturbation}, for the spinless one-dimensional Holstein model. The small parameter is given by the ratio of the hopping term ($t$) to the polaronic…

The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full…

The Kitaev spin model offers an exact quantum spin liquid in the ground state, which has stimulated exploration of its material realization over the last decade. Thus far, most of the candidates are found in $4d$- and $5d$-electron…

Determining the spin Hamiltonian of a magnetic compound is crucial for understanding its magnetic properties. A standard approach is to derive model parameters from $ab$ $initio$ calculations based on the crystal structure. However, the…

We study the quantum many-body instabilities of the $t -J_{\mathrm{K}} - J_{\mathrm{H}}$ Kitaev-Heisenberg Hamiltonian on the honeycomb lattice as a minimal model for a doped spin-orbit Mott insulator. This spin-$1/2$ model is believed to…

We study the ordered moment direction in the extended Kitaev-Heisenberg model relevant to honeycomb lattice magnets with strong spin-orbit coupling. We utilize numerical diagonalization and analyze the exact cluster groundstates using a…

The marked interplay between the crystalline, electronic, and magnetic structure of atomically thin magnets has been regarded as the key feature for designing next-generation magneto-optoelectronic devices. In this respect, a detailed…

We propose a method to determine the magnetic exchange interaction and on-site anisotropy tensors of extended Heisenberg spin models from density functional theory including relativistic effects. The method is based on the…

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 derive the spin Hamiltonian for the quantum spin liquid Na4Ir3O8, and then estimate the direct and superexchange contributions between near neighbor iridium ions using a tight binding parametrization of the electronic structure. We find…

We have studied the electronic structure of BaCoO$_3$ using soft x-ray absorption spectroscopy at the Co-$L_{2,3}$ and O-$K$ edges, magnetic circular dichroism at the Co-$L_{2,3}$ edges, as well as valence band hard x-ray photoelectron…

The results of fabrication and characterization of atomic structure of nanocrystalline thin layers of Y2O3 in cubic and monoclinic phases is reported. Experimental data demonstrate crystalline ordering in nanocrystalline films with average…

An extension of the Heisenberg Hamiltonian is discussed, that allows to go beyond the standard bilinear spin Hamiltonian taking into account various contributions due to multispin interactions having both chiral and non-chiral character.…

Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4$d$ system $\alpha$-RuCl$_3$ has recently come into view as a candidate Kitaev system,…