Related papers: First-principles Study on the Magnetic Interaction…
We study a frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{3}$--$J_{1}^{\perp}$ Heisenberg antiferromagnet on an $AA$-stacked bilayer honeycomb lattice. In each layer we consider nearest-neighbor (NN), next-nearest-neighbor, and…
A Kitaev-Heisenberg-J2-J3 model is proposed to describe the Mott-insulating layered iridates A2IrO3 (A=Na,Li). The model is a combination of the Kitaev honeycomb model and the Heisenberg model with all three nearest neighbor couplings J1,…
The recently-synthesized iridate $\beta$-Li$_2$IrO$_3$ has been proposed as a candidate to display novel magnetic behavior stabilized by frustration effects from bond-dependent, anisotropic interactions (Kitaev model) on a three-dimensional…
By means of density functional theory (DFT) calculations (with and without inclusion of spin-orbit (SO) coupling) we present a detailed study of the electronic structure and corresponding microscopic Hamiltonian parameters of Na2IrO3. In…
We study magnetically ordered phases and their phase boundaries in the $J_1-J_2-J_3$ Heisenberg models on the honeycomb lattice using series expansions around N\'eel and different colinear and non-colinear magnetic states. An Ising…
CaMn$_2$P$_2$ exemplifies the realization of a frustrated $J_1$-$J_2$-$J_3$ Heisenberg model of a corrugated honeycomb magnetic lattice. Previous studies show that below the N\'eel temperature ($T_{\rm N}$), the system forms a cycloidal…
Achieving long-range ferrimagnetic order in purely organic systems remains a major challenge in molecular magnetism. Here we report the synthesis and characterization of heterospin-coupling motifs, formed by covalently linking spin-1/2 and…
We explore the potential experimental realization of the mixed-spin Kitaev model in materials such as Zr$_{0.5}$Ru$_{0.5}$Cl$_3$, where spin-1/2 and spin-3/2 ions occupy distinct sublattices of a honeycomb lattice. By developing a…
Muon spin rotation measurements have been performed on a powder sample of a-RuCl3, a layered material which previously has been proposed to be a quantum magnet on a honeycomb lattice close to a quantum spin liquid ground state. Our data…
Recent experiment on a honeycomb-lattice Heisenberg antiferromagnet (AF) Bi$_3$Mn$_4$O$_{12}$(NO$_3$) revealed a novel spin-liquid-like behavior down to low temperature, which was ascribed to the frustration effect due to the competition…
Strongly correlated systems with geometric frustrations can host the emergent phases of matter with unconventional properties. Here, we study the spin $S = 1$ Heisenberg model on the honeycomb lattice with the antiferromagnetic first-…
Despite the exciting implications of the Kitaev spin-Hamiltonian, finding and confirming the quantum spin liquid state has proven incredibly difficult. Recently the applicability of the model has been expanded through the development of a…
We have investigated magnetic properties of Rb$_2$Cu$_2$Mo$_3$O$_{12}$ powder. Temperature dependence of magnetic susceptibility and magnetic-field dependence of magnetization have shown that this cuprate is a model compound of a…
The magnetic structures and spin dynamics of Na$_{2}$Co$_{2}$TeO$_{6}$ and Na$_{2}$Ni$_{2}$TeO$_{6}$ are investigated by means of elastic and inelastic neutron scattering measurements and the results are discussed in the context of a…
Co-based honeycomb magnets have been actively studied recently for the potential realization of emergent quantum magnetism therein such as the Kitaev spin liquid. Here we employ density functional and dynamical mean-field theory methods to…
The coupled cluster method is implemented at high orders of approximation to investigate the zero-temperature $(T=0)$ phase diagram of the frustrated spin-$s$ $J_{1}$--$J_{2}$--$J_{3}$ antiferromagnet on the honeycomb lattice. The system…
We consider the quasi-two-dimensional pseudo-spin-1/2 Kitaev - Heisenberg model proposed for A2IrO3 (A=Li, Na) compounds. The spin-wave excitation spectrum, the sublattice magnetization, and the transition temperatures are calculated in the…
Magnetic materials are composed of the simple building blocks of magnetic moments on a crystal lattice that interact via magnetic exchange. Yet from this simplicity emerges a remarkable diversity of magnetic states. Some reveal the deep…
Cu2(pymca)3(ClO4) (pymca: pyrimidine-2-carboxylate) consists of a slightly distorted honeycomb lattice of Cu2+ spins, which shows no long-range magnetic order down to 0.6 K. A magnetization study revealed 1/3 and 2/3 plateau phases [A.…
We investigated the magnetic properties of the ilmenite-type iridate CdIrO$_3$ with a honeycomb lattice formed by Ir$^{4+}$ ions prepared via a solid-state metathesis. The magnetization measurements with using the powder sample reveal a…