Related papers: First-principles Study on the Magnetic Interaction…
The quest for quantum spin liquids has garnered significant attention due to their rich physics and disruptive prospects in quantum communication and computation. Spin-orbit coupling, electron correlation, and structural distortion play…
Motivated by recent experiments on Bi$_3$Mn$_4$O$_{12}$(NO$_3$), we study a frustrated $J_1$-$J_2$ Heisenberg model on the two dimensional (2D) honeycomb lattice. The classical $J_1$-$J_2$ Heisenberg model on the two dimensional (2D)…
Despite exhibiting magnetic long-range order below $T_\mathrm{N} = 26.7\,\mathrm{K}$, the honeycomb cobaltate Na$_2$Co$_2$TeO$_6$ is predicted to enter a Kitaev spin liquid state when subjected to small external perturbations. While most of…
Antiferromagnetic (AF) order of U$_{2}$Pt$_{6}$Ga$_{15}$ with the ordering temperature $T_{\rm N}$ = 26 K was investigated by resonant X-ray scattering and neutron diffraction on single crystals. This compound possesses a unique crystal…
We derive the microscopic spin Hamiltonian for rhombohedral CrI$_3$ using extensive first-principles density functional theory (DFT) calculations which incorporate spin-orbit coupling and Hubbard U. Our calculations indicate a dominant…
Kitaev materials are of great interest due to their potential in realizing quantum spin liquid (QSL) states and applications in topological quantum computing. In the pursuit of realizing Kitaev QSL, a Mott insulator with strong…
Contrary to previous studies that classify Na2IrO3 as a realization of the Heisenberg-Kitaev model with dominant spin-orbit coupling, we show that this system represents a highly unusual case in which the electronic structure is dominated…
Motivated by the recent synthesis of two insulating Li$_2$IrO$_3$ polymorphs, where Ir$^{4+}$ $S_{eff}$=1/2 moments form 3D ("harmonic") honeycomb structures with threefold coordination, we study magnetic Hamiltonians on the resulting…
We study two Heisenberg-Kitaev t-J-like models on a honeycomb lattice, focusing on the zigzag magnetic phase of Na$_2$IrO$_3$, and investigate hole motion by exact diagonalization and variational methods. The spectral functions are quite…
A family of insulating iridates with chemical formula Li$_2$IrO$_3$ has recently been discovered, featuring three distinct crystal structures $\alpha,\beta,\gamma$ (honeycomb, hyperhoneycomb, stripyhoneycomb). Measurements on the…
Bi3Mn4O12(NO3), in which the Mn4+ ions carry S=3/2, is the first honeycomb lattice system that shows no long-range magnetic order. Using neutron scattering, we have determined that short-range antiferromagnetic correlations develop at low…
Here, we study YbI$_3$, a quasi-2D layered material with Yb atoms arranged on an ideal honeycomb network of edge-sharing YbI$_6$ octahedra, analogous to the low-temperature phase of $\alpha-$RuCl$_3$. High quality single crystals of YbI$_3$…
In the quest for materials hosting Kitaev spin liquids, much of the efforts have been focused on the fourth- and fifth-row transition metal compounds, which are spin-orbit coupling assisted Mott insulators. Here, we study the structural and…
We use the coupled cluster method for infinite chains complemented by exact diagonalization of finite periodic chains to discuss the influence of a third-neighbor exchange J3 on the ground state of the spin-1/2 Heisenberg chain with…
A range of honeycomb-lattice compounds has been proposed and investigated in the search for a topological Kitaev spin liquid. However, sizable Heisenberg interactions and additional symmetry-allowed exchange anisotropies in the magnetic…
We study effects of the next-next-nearest-neighbour antiferromagnetic ($J_3 < 0$) interaction on critical properties (or phase diagram) of the frustrated spin-$\frac{1}{2}$ $J_1-J_2-J_3$ Ising antiferromagnet on the honeycomb lattice by…
There have been tremendous experimental and theoretical efforts toward discovery of quantum spin liquid phase in honeycomb-based-lattice materials with strong spin-orbit coupling. Here the bond-dependent Kitaev interaction between local…
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 $\alpha-\mathrm{RuCl}_{3}$…
The spin-3/2 Heisenberg antiferromagnet on the bilayer honeycomb lattice is a minimal model to describe the magnetic behavior of Bi$_3$Mn$_4$O$_{12}$(NO$_3$). We study this model with frustrating inter-layer second-neighbor couplings,…
Honeycomb iridates are thought to have strongly spin-anisotropic exchange interactions that could lead to an extraordinary state of matter known as the Kitaev quantum spin liquid. The realization of this state requires almost perfectly…