相关论文: Pressure-induced dimerization and molecular orbita…

We explore the Mott transition in orthorhombic diamond lattices relevant to (ET)Ag$_4$(CN)$_5$ molecular compounds. The non-interacting phases include nodal line, Dirac and/or Weyl semimetals depending on the strength of spin-orbit coupling…

We have studied in detail the electronic structure of IrO$_2$ including spin-orbit coupling (SOC) and electron-electron interaction, both within the GGA+U and GGA+DMFT approximations. Our calculations reveal that the Ir t$_{2g}$ states at…

The physics of Mott insulators underlies diverse phenomena ranging from high temperature superconductivity to exotic magnetism. Although both the electron spin and the structure of the local orbitals play a key role in this physics, in most…

Novel interplay of spin-orbit coupling and electron correlations in complex Ir oxides recently emerged as a new paradigm for correlated electron physics. Because of a large spin-orbit coupling of ~0.5 eV, which is comparable to the transfer…

Electronic structure calculations on the low dimensional spin-1/2 compound TiOCl were performed at several pressures in the orthorhombic phase, finding that the structure is quasi-one-dimensional. The Ti3+ (d1) ions have one t2g orbital…

We present an analytical study of the exchange interactions between pseudospin one-half $d^{5}$ ions in honeycomb lattices with edge-shared octahedra. Various exchange channels involving Hubbard U, charge-transfer excitations, and cyclic…

Magnetic moments arranged at the corners of a honeycomb lattice are predicted to form a novel state of matter, Kitaev quantum spin liquid, under the influence of frustration effects between bond-dependent Ising interactions. Some layered…

We report a detailed experimental and theoretical study on the effect of hydrostatic pressure on the structural and magnetic aspects of the layered honeycomb antiferromagent $\alpha$-RuCl$_{3}$. Magnetic susceptibility measurements…

A quantum spin-liquid might be realized in $\alpha$-RuCl$_{3}$, a honeycomb-lattice magnetic material with substantial spin-orbit coupling. Moreover, $\alpha$-RuCl$_{3}$ is a Mott insulator, which implies the possibility that novel exotic…

Recently, in the seemingly narrow gap insulating NiCrO$_3$ with the trigonally distorted (R-3c) perovskite-like structure, a compensated half-metal (CHM) is predicted, as applying a modest pressure. Using ab initio calculations including…

Kitaev's honeycomb spin-liquid model and its proposed realization in materials such as $\alpha$-RuCl$_3$, Li$_2$IrO$_3$ and Na$_2$IrO$_3$ continue to present open questions about how the dynamics of a spin-liquid are modified in the…

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.…

An emergent $\mathrm{SU}(4)$ symmetry discovered in the microscopic model for $d^1$ honeycomb materials [M.~G.~Yamada, M.~Oshikawa, and G.~Jackeli, Phys. Rev. Lett. \textbf{121}, 097201 (2018).] has enabled us to tailor exotic…

We have synthesized single crystals of Na$_3$Co$_2$SbO$_6$ and characterized the structure and magnetic order by measuring anisotropic magnetic properties, heat capacity, x-ray and neutron single crystal diffraction. Magnetic properties and…

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…

By combining the density matrix renormalization group (DMRG) method with Gutzwiller projected wave functions, we study the SU(4) symmetric spin-orbital model on the honeycomb lattice. We find that the ground states can be well described by…

The interplay between spin and orbital degrees of freedom gives rise to a variety of emergent phases in correlated 4d and 5d transition-metal systems. Strong spin-orbit coupling (SOC) significantly alters Jahn-Teller (JT) physics, often…

The honeycomb lattice material Li2RuO3 undergoes a dimerization of Ru4+ cations on cooling below 270C, where the magnetic susceptibility vanishes. We use density functional theory calculations to show that this reflects the formation of a…

Ferromagnetism in the two-dimensional CrI$_3$ has generated a lot of excitement, and it was recently proposed that the spin-orbit coupling (SOC) in Iodine may generate bond-dependent spin interactions leading to magnetic anisotropy. Here we…

The presence of spin-orbit coupling drives the anomalous magnetotransport at oxide interfaces and forms the basis for numerous intriguing properties of these 2D electron systems, such as topologically protected phases or anti-localization.…