Related papers: Confinement-driven electronic and topological phas…
\textit{Ab initio} calculations have been performed on hexagonal layers of M$_2$O$_3$ (M being several transition metals of the $5d$ series) sandwiched by a band insulator such as Al$_2$O$_3$ that provides the honeycomb lattice where the…
Using density functional theory calculations with a Hubbard $U$, we explore topologically nontrivial phases in $X_2$O$_3$ honeycomb layers with $X=$ $4d$ and $5d$ cation inserted in the band insulator $\alpha$-Al$_2$O$_3$ along the…
We show by means of ab initio calculations and tight-binding modeling that an oxide system based on a honeycomb lattice can sustain topologically non-trivial states if a single orbital dominates the spectrum close to the Fermi level. In…
Based on density functional theory (DFT) calculations, we predict that a monolayer of OsCl$_3$---a layered material whose interlayer coupling is weaker than in graphite---possesses a quantum anomalous Hall (QAH) insulating phase generated…
Perovskite bilayers with (111)-orientation combine a honeycomb lattice as a key feature with the strongly correlated, multiorbital nature of electrons in transition metal oxides. In a systematic DFT+$U$ study of (111)-oriented…
We study the interplay between spin-orbit coupling (SOC) and Coulomb repulsion in a Hubbard model on a decorated honeycomb lattice which leads to a plethora of phases. While a quantum spin hall insulator is stable at weak Coulomb repulsion…
The interplay of electronic correlations, spin-orbit coupling and topology holds promise for the realization of exotic states of quantum matter. Models of strongly interacting electrons on honeycomb lattices have revealed rich phase…
We study the general phase diagram of correlated electrons for iridium-based (Ir) compounds on the hyperhoneycomb lattice---a crystal structure where the Ir$^{4+}$ ions form a three-dimensional network with three-fold coordination recently…
We propose three transition-metal adatom systems on 3C-SiC(111) surfaces as a versatile platform to realize massless Dirac fermions and flat bands with strong electronic correlations. Using density functional theory combined with the…
By using an extended mean-field theory, we study the phase diagram of the topological Kondo lattice model on the honeycomb lattice at half-filling in which the conduction electrons are described by the Haldane model. Besides the…
The unique linear density of state around the Dirac points for the honeycomb lattice brings much novel features in strongly correlated models. Here we study the ground-state phase diagram of the Kondo lattice model on the honeycomb lattice…
The (SrTiO$_3$)$_m$/(SrVO$_3$)$_n$ $d^0-d^1$ multilayer system is studied with first principles methods through the observed insulator-to-metal transition with increasing thickness of the SrVO$_3$ layer. When correlation effects with…
A set of broken symmetry two-dimensional ground states are predicted in (111)-oriented (LaNiO$_3$)$_N$/(LaAlO$_3$)$_M$ ($N$/$M$) superlattices, based on density functional theory (DFT) calculations including a Hubbard $U$ term. An…
The interplay between charge and spin degrees of freedom in strongly correlated fermionic systems, in particular of Dirac fermions, is a long-standing problem in condensed matter physics. We investigate the competing orders in the…
Strong Coulomb repulsion is predicted to open a many-body charge gap at the Dirac point of graphene, transforming the semimetal into a Mott insulator. However, this correlated insulating phase has remained inaccessible in pristine graphene,…
Using the exact-diagonalization (ED) and mean-field (MF) approaches, we investigate the ground-state phase diagram of the interacting Haldane model on the honeycomb lattice, incorporating spin-dependent sublattice potentials…
Semimetals, in which conduction and valence bands touch but do not form Fermi surfaces, have attracted considerable interest for their anomalous properties starting with the discovery of Dirac matter in graphene and other two-dimensional…
We obtain the rich phase diagrams in the Hubbard model on the triangular Kagom\'e lattice as a function of interaction, temperature and asymmetry, by combining the cellular dynamical mean-field theory with the continuous time quantum Monte…
We show that spin-orbit coupling (SOC) plays Janus-faced roles on the orbitally-selective Mott transitions in a three-orbital Hubbard model with crystal field splitting at a specific filling of $2/3$, which is a minimal Hamiltonian for…
We investigate the role of electron correlation in the electronic structure of honeycomb lattice Li$_2$RuO$_3$ using photoemission spectroscopy and band structure calculations. Monoclinic Li$_2$RuO$_3$ having Ru network as honeycomb lattice…