We take advantage of recent improvements in the grand canonical Hybrid Monte Carlo algorithm, to perform a precision study of the single-particle gap in the hexagonal Hubbard model, with on-site electron-electron interactions. After carefully controlled analyses of the Trotter error, the thermodynamic limit, and finite-size scaling with inverse temperature, we find a critical coupling of $U_c/κ=3.834(14)$ and the critical exponent $zν=1.185(43)$. Under the assumption that this corresponds to the expected anti-ferromagnetic Mott transition, we are also able to provide a preliminary estimate $β=1.095(37)$ for the critical exponent of the order parameter. We consider our findings in view of the $SU(2)$ Gross-Neveu, or chiral Heisenberg, universality class. We also discuss the computational scaling of the Hybrid Monte Carlo algorithm, and possible extensions of our work to carbon nanotubes, fullerenes, and topological insulators.
A semimetal-insulator transition in the Hubbard model on the honeycomb lattice is studied by using the dynamical mean field theory. Electrons in the honeycomb lattice resemble the Dirac electron liquid and for weak interactions the system is semimetal. With increasing the local interaction a semimetal-insulator transition occurs. We find a nonanalytical structure of the phase transition which consists of a first-order transition line ending in a second-order transition point and high-temperature crossover line. A phase separation of semimetal and insulator occurs at low temperatures. Maxwell c…
The Mott transition in honeycomb compounds with significant spin-orbit coupling is explored. At finite temperatures we identify a novel semimetallic phase located between a topological insulator and a topological Mott insulator. This semimetal is characterized by having no charge gap, no quasiparticles and gapped spin excitations with non-trivial topological properties. While charge conduction is incoherent involving mean-free paths violating the Mott-Ioffe-Regel limit, spin excitations can be transported ballistically along the edges giving rise to a quantized spin conductance. Such bad topol…
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 honeycomb materials. Here we introduce a family of three-dimensional honeycomb systems whose electronic band structures exhibit a variety of topological semimetals with Dirac nodal lines. We show that these nodal lines appear in varying numbers and mutual geometries, depending on the underlying lattice structure. They are stabilized, in most cases, by a combin…
We study the interplay of strong electron correlations and intra-triangle spin exchange at two-thirds filling of the single-orbital Hubbard model on the decorated honeycomb lattice using rotationally invariant slave bosons. We find that the spin exchange tunes between a spin-$1$ Mott insulator, a metal, and a spin-$0$ Mott insulator when the exchange is antiferromagnetic. The Mott insulators occur from effective intra-triangle multi-orbital interactions and are adiabatically connected to the ground state of an isolated triangle. An antiferromagnetic spin exchange, as determined by the Goodenou…
It is shown that the semimetallic state of the two-dimensional honeycomb lattice with a point-like Fermi surface is unstable towards a canted antiferromagnetic insulator upon application of an in-plane magnetic field. This instability is already present at the mean-field level; the magnetic field shifts the up- and the down-spin cones in opposite directions thereby generating a finite density of states at the Fermi surface and a perfect nesting between the up- and the down-spin Fermi sheets. This perfect nesting triggers a canted antiferromagnetic insulating state. Our conclusions, based on me…
The Hubbard model on the honeycomb lattice undergoes a quantum phase transition from a semimetallic to a Mott insulating phase and from a disordered to an anti-ferromagnetically phase. We show that these transitions occur simultaneously and we calculate the critical coupling $U_c=3.835(14)$ as well as the critical exponents $ν=1.181(43)$ and $β=0.898(37)$ which are expected to fall into the $SU(2)$ Gross-Neveu universality class. For this we employ Hybrid Monte Carlo simulations, extrapolate the single particle gap and the spin structure factors to the thermodynamic and continuous time limits,…
A polymorph of RuI$_3$ synthesized under high pressure was found to have a two-layered honeycomb structure. The resistivity of RuI$_3$ exhibits a semimetallic behavior, in contrast to insulating properties in $α$-RuCl$_3$. In addition, Pauli paramagnetic behavior was observed in the temperature dependence of a magnetic susceptibility and a nuclear spin-lattice relaxation rate 1/$T_1$. The band structure calculations indicate that contribution of the I 5$p$ components to the low-energy $t_\mathrm{2g}$ bands effectively decreases Coulomb repulsion, leading to semimetallic properties. The physica…
We examine the effects of quantum fluctuations on a classical spin liquid state in the fully-frustrated honeycomb lattice Bose Hubbard model using quantum Monte Carlo simulations. Frustration is induced explicitly in the model by modulating the sign of the interaction spatially around each lattice hexagon. A superfluid to Mott insulating quantum phase transition can be induced by varying the relative strength of the classical interaction and quantum hopping. In the cases where the interaction has a regular spatial modulation, hopping promotes a phase transition to a symmetry-broken valence-bon…
We use finite temperature strong coupling expansions to calculate thermodynamic properties of the Honeycomb-lattice SU(4) Hubbard model. We present numerical results for various properties including chemical potential, compressibility, entropy and specific heat as a function of temperature and density at several $U/t$ values. We study the onset of charge incompressibility and Mott gaps as the temperature is lowered at integer densities. In the incompressible Mott regime, the expansions are recast into a high temperature expansion for a generalized spin model with SU(4) symmetry, which is then …
The Kitaev model, characterized by bond-dependent Ising spin interactions among spin-orbit entangled dipole moments in Mott insulators, offered a new approach to quantum spin liquids. Motivated by another type of bond-dependent interaction among quadrupole moments in $5d^2$ Mott insulators, we provide a microscopic route to uncover the Kitaev multipolar liquid, featuring fractionalized excitations out of non-Kramers doublets carrying multipole moments. The key ingredient is the magnetic field that allows for bond-anisotropic quadrupole-octupole interactions via mixing with the excited triplet …
Inspired by recent discovery of correlated insulating states in twisted bilayer graphene (TBG), we study a two-orbital Hubbard model on the honeycomb lattice with two electrons per unit cell. Based on the real-space density matrix renormalization group (DMRG) simulation, we identify a metal-insulator transition around $U_c/t=2.5\sim3$. In the vicinity of $U_c$, we find strong spin/orbital density wave fluctuations at commensurate wavevectors, accompanied by weaker incommensurate charge density wave (CDW) fluctuations. The spin/orbital density wave fluctuations are enhanced with increasing syst…
We study possible Weyl semimetals of strongly-correlated electrons by investigating magnetotransport properties in pyrochlore R2Ir2O7 (R=rare-earth ions), choosing three types of R ions to design the exchange coupling scheme between R 4f and Ir 5d moments; non-magnetic Eu (4f6), isotropic Gd (4f7), and anisotropic Tb (4f8). In the doping-induced semimetallic state, distinctive features of magnetoresistance and Hall effect are observed in R=Gd and Tb compounds due to the effects of the exchange-enhanced isotropic and anisotropic Zeeman fields, respectively, exemplifying the double Weyl semimeta…
Novel ground states might be realized in honeycomb lattices with strong spin-orbit coupling. Here we study the electronic structure of $α$-RuCl$_3$, in which the Ru ions are in a d5 configuration and form a honeycomb lattice, by angle-resolved photoemission, x-ray photoemission and electron energy loss spectroscopy supported by density functional theory and multiplet calculations. We find that $α$-RuCl$_3$ is a Mott insulator with significant spin-orbit coupling, whose low energy electronic structure is naturally mapped onto Jeff states. This makes $α$-RuCl$_3$ a promising candidate for the re…
We report structural studies of the spin-orbit Mott insulator family K$_x$Ir$_y$O$_2$, with triangular layers of edge-sharing IrO$_6$ octahedra bonded by potassium ions. The potassium content acts as a chemical tuning parameter to control the amount of charge in the Ir-O layers. Unlike the isostructural families with Ir replaced by Co or Rh ($y=1$), which are metallic over a range of potassium compositions $x$, we instead find insulating behaviour with charge neutrality achieved via iridium vacancies, which order in a honeycomb supercell above a critical composition $x_c$. By performing densit…
We examine the role of spin-orbit coupling in the electronic structure of $α$-RuCl3, in which Ru ions in 4d5 configuration form a honeycomb lattice. The measured optical spectra exhibit a clear optical gap and excitations within the t2g orbitals. The spectra can be described very well with first-principles electronic structure calculations obtained by taking into account both spin orbit coupling and electron correlations. Furthermore, our X-ray absorption spectroscopy measurements at the Ru L-edges exhibit distinct spectral features associated with the presence of substantial spin- orbit coupl…
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 derive a microscopic spin model of S=3/2 on transition metals surrounded by heavy ligands in honeycomb Mott insulators using a strong-coupling perturbation theory. For ideal octahedra we find Heisenberg and Kitaev interactions, which favor the magnetic moment along the cubic axis via quantum fluctuations. When a slight trigonal distortion of the octahedra i…
Effects of electron many-body interactions amplify in an electronic system with a narrow bandwidth opening a way to exotic physics. A narrow band in a two-dimensional (2D) honeycomb lattice is particularly intriguing as combined with Dirac bands and topological properties but the material realization of a strongly interacting honeycomb lattice described by the Kane-Mele-Hubbard model has not been identified. Here we report a novel approach to realize a 2D honeycomb-lattice narrow-band system with strongly interacting 5$d$ electrons. We engineer a well-known triangular lattice 2D Mott insulator…
Recently, a concept of orthogonal metal has been introduced to reinterpret the disordered state of slave-spin representation in the Hubbard model as an exotic gapped metallic state. We have extended this concept to study the slave-spin representation of Hubbard model on the honeycomb lattice.[Phys. Rev. B \textbf{86}, 165134 (2012)] It is found that a novel gapped metallic state coined orthogonal Dirac semimetal is identified. Such state corresponds to the disordered phase of slave-spin and has the same thermal-dynamical and transport properties as Dirac semimetal but its singe-particle excita…
The SU(4)-symmetric spin-orbital model on the honeycomb lattice was recently studied in connection to correlated insulators such as the $e_{g}$ Mott insulator Ba$_{3}$CuSb$_{2}$O$_{9}$ and the insulating phase of magic-angle twisted bilayer graphene at quarter filling. Here we provide a unified discussion of these systems by investigating an extended model that includes the effects of Hund's coupling and anisotropic, orbital-dependent exchange interactions. Using a combination of mean-field theory, linear flavor-wave theory, and variational Monte Carlo, we show that this model harbors a quantu…
Electrons in artificial lattices enable explorations of the impact of repulsive Coulomb interactions in a tunable system. We have trapped two-dimensional electrons belonging to a gallium arsenide quantum well in a nanofabricated lattice with honeycomb geometry. We probe the excitation spectrum in a magnetic field identifying novel collective modes that emerge from the Coulomb interaction in the artificial lattice as predicted by the Mott-Hubbard model. These observations allow us to determine the Hubbard gap and suggest the existence of a novel Coulomb-driven ground state. This approach offers…
Motivated by the recent discovery of a spin liquid phase for the Hubbard model on the honeycomb lattice at half-filling, we apply both perturbative and non-perturbative techniques to derive effective spin Hamiltonians describing the low-energy physics of the Mott-insulating phase of the system. Exact diagonalizations of the so-derived models on small clusters are performed, in order to assess the quality of the effective low-energy theory in the spin-liquid regime. We show that six-spin interactions on the elementary loop of the honeycomb lattice are the dominant sub-leading effective coupling…
We investigate the competition between charge-density-wave (CDW) states and a Coulomb interaction-driven topological Mott insulator (TMI) in the honeycomb extended Hubbard model. For the spinful model with on-site ($U$) and next-nearest-neighbor ($V_2$) Coulomb interactions at half filling, we find two peculiar six-sublattice charge-density-wave insulating states by using variational Monte Carlo simulations as well as the Hartree-Fock approximation. We observe that conventional ordered states always win with respect to the TMI. The ground state is given in the large-$V_2$ region by a CDW chara…
The $t_{2g}$ orbitals of an edge-shared transition-metal oxide with a honeycomb lattice structure form dispersionless electronic bands when only hopping mediated by the edge-sharing oxygens is accessible. This is due to the formation of isolated quasimolecular orbitals (QMOs) in each hexagon, introduced recently by Mazin et al. [Phys. Rev. Lett. 109, 197201 (2012)], which stabilizes a band insulating phase for $t_{2g}^5$ systems. However, with help of the exact diagonalization method to treat the electron kinetics and correlations on an equal footing, we find that the QMOs are fragile against …
Motivated by superconductivity (SC) in layered nitrides, we study an ionic-Hubbard model on a honeycomb lattice, which consists of two sublattices with an energy-level offset, by using an optimization variational Monte Carlo method. Parameter values for the Coulomb interaction and the energy-level offset, to realize a band insulator in non-doped state, are evaluated, and the SC state is investigated in a carrier-doped band insulator. It is found that, in a weakly doped band insulator, spin fluctuation remains and the spin-singlet d-wave SC state is realized. Present results support an unconven…
A Dirac fermion emerges as a result of interplay between symmetry and topology in condensed matter. Current research moves towards investigating the Dirac fermions in the presence of manybody effects in correlated system. Here, we demonstrate the emergence of correlation-induced symmetry-protected Dirac semimetal state in the lightly-doped spin-orbit-coupled Mott insulator Sr$_2$IrO$_4$. We find that the nonsymmorphic crystalline symmetry stabilizes a Dirac line-node semimetal and that the correlation-induced symmetry-breaking electronic order further leads to a phase transition from the Dirac…
The emergence of superconductivity in doped Mott insulators has been debated for decades. In this paper, we report the theoretical discovery of a time-reversal symmetry breaking superconducting ground state in the doped Mott insulator (described by the well known t-J model) on honeycomb lattice, based on a recently developed variational method: the Grassmann tensor product state approach. As a benchmark, we use exact diagonalization and density-matrix renormalization methods to check our results on small clusters. We find systematic consistency for the ground-state energy as well as other phys…
A novel gapped metallic state coined orthogonal Dirac semimetal is proposed in the honeycomb lattice in terms of $Z_{2}$ slave-spin representation of Hubbard model. This state corresponds to the disordered phase of slave-spin and has the same thermaldynamical and transport properties as usual Dirac semimetal but its singe-particle excitation is gapped and has nontrivial topological order due to the $Z_{2}$ gauge structure. The quantum phase transition from this orthogonal Dirac semimetal to usual Dirac semimetal is described by a mean-field decoupling with complementary fluctuation analysis an…
We investigate the interacting Dirac fermions on honeycomb lattice by cluster dynamical mean-field theory (CDMFT) combined with continuous time quantum Monte Carlo simulation (CTQMC). A novel scenario for the semimetal-Mott insulator transition of the interacting Dirac fermions is found beyond the previous DMFT studies. We demonstrate that the non-local spatial correlations play a vital role in the Mott transition on the honeycomb lattice. We also elaborate the experimental protocol to observe this phase transition by the ultracold atoms on optical honeycomb lattice.
Phase transitions in the Hubbard model and ionic Hubbard model at half-filling on the honeycomb lattice are investigated in the strong coupling perturbation theory which corresponds to an expansion in powers of the hopping $t$ around the atomic limit. Within this formulation we find analytic expressions for the single-particle spectrum, whereby the calculation of the insulating gap is reduced to a simple root finding problem. This enables high precision determination of the insulating gap that does not require any extrapolation procedure. The critical value of Mott transition on the honeycomb …
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 undergoes magneto-structural transition at T$_c$ $\sim$ 540 K from high temperature phase $C2/m$ to low temperature dimerized phase $P2_1/m$. Room temperature valence band photoemission spectra reveal an insulating ground state with no intensity at Fermi level ($E_F$). Ru 4$d$ band extracted from high and low photon energy valence band photoemission spectra…
The semimetal to antiferromagnet quantum phase transition of the Hubbard model on the honeycomb lattice has come to the forefront in the context of the proposal that a semimetal to spin liquid transition can occur before the transition to the antiferromagnetic phase. To study the semimetal to antiferromagnet transition, we generalize the two-particle self-consistent (TPSC) approach to the honeycomb lattice (a structure that can be realized in graphene for example). We show that the critical interaction strength where the transition occurs is $U_c/t=3.79\pm 0.01$ quite close to the value $U_c/t…
The Kitaev spin liquid, a ground state of the bond-dependent Kitaev model in a honeycomb lattice has been a centre of attraction, since a microscopic theory to realize such an interaction in solid-state materials was discovered. A challenge in real materials though is the presence of the Heisenberg and another bond-dependent Gamma interactions detrimental to the Kitaev spin liquid, and there have been many debates on their relative strengths. Here we offer a strategy to extract the Kitaev interaction out of a full microscopic model by utilizing the symmetries of the Hamiltonian. Two tilted mag…
We investigate the quantum many-body instabilities of the extended Hubbard model for spinless fermions on the honeycomb lattice with repulsive nearest-neighbor and 2nd nearest-neighbor density-density interactions. Recent exact diagonalization and infinite density matrix renormalization group results suggest that a putative topological Mott insulator phase driven by the 2nd nearest-neighbor repulsion is suppressed, while other numerically exact approaches support the topological Mott insulator scenario. In the present work, we employ the functional renormalization group (fRG) for correlated fe…
We study the orbitally frustrated singlet-triplet models that emerge in the context of spin-orbit coupled Mott insulators with $t_{2g}^4$ electronic configuration. In these compounds, low-energy magnetic degrees of freedom can be cast in terms of three-flavor "triplon" operators describing the transitions between spin-orbit entangled $J=0$ ionic ground state and excited $J=1$ levels. In contrast to a conventional, flavor-isotropic O(3) singlet-triplet models, spin-orbit entangled triplon interactions are flavor-and-bond selective and thus highly frustrated. In a honeycomb lattice, we find clos…
In this paper we study transport properties of electrons on the two-dimensional honeycomb lattice. We consider a half-filled system in the vicinity of a symmetry-breaking transition from a semimetallic phase towards an insulating phase with either charge density or spin density wave order. The effect of either order is to break the sublattice inversion symmetry which induces a finite gap for the electronic single-particle excitations. Phenomenologically, such a scenario is described in the framework of a Gross-Neveu theory. We analyze two related formulations of the model by means of (i) a con…
We present the observation of an isostructural Mott insulator-metal transition in van-der-Waals honeycomb antiferromagnet V$_{0.9}$PS$_3$ through high-pressure x-ray diffraction and transport measurements. The MPX$_3$ family of magnetic van-der-Waals materials (M denotes a first row transition metal and X either S or Se) are currently the subject of broad and intense attention, but the vanadium compounds have until this point not been studied beyond their basic properties. We observe insulating variable-range-hopping type resistivity in V$_{0.9}$PS$_3$, with a gradual increase in effective dim…
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 frustrated interactions between the magnetic Ir$^{4+}$ ions, but small imbalances in energy make other ordered states more favorable. Indeed, the closeness in energy of these ordered states is itself a signature of the intrinsic frustration in the system. In this work, we illustrate that small magnetic fields can be employed to drive the frustrated quantum magne…
Using large-scale quantum Monte Carlo simulations, we exactly solve a model of Fermions hopping on the honeycomb lattice with cluster charge interactions, which has been proposed as an effective model with possible application to twisted bilayer graphene near half-filling. We find an interaction driven semimetal to insulator transition to an insulating phase consisting of a valence bond solid with Kekulé pattern. Finite size scaling reveals that the phase transition of the semimetal to Kekulé valence bond solid phase is continuous and belongs to chiral XY universality class.
Magnetic exchange couplings can be tuned by coupling to periodic light, where the frequency and amplitude are typically varied: a process known as Floquet engineering. The polarization of the light is also important, and in this paper, we show how different polarizations, including several types of unpolarized light, can tune the exchange couplings in distinct ways. Using unpolarized light, for example, it is possible to tune the material without breaking either time-reversal or any lattice symmetries. To illustrate these effects generically, we consider single-band Hubbard models at half-fill…
Distinguishing Mott and strain-induced anisotropic semimetals in magic-angle twisted bilayer graphene using Landau level spectroscopy
National High Magnetic Field Laboratory（国家强磁场实验室）；Florida State University（佛罗里达州立大学）；Princeton University（普林斯顿大学）；Weizmann Institute of Science（魏茨曼科学研究所）；University of California Santa Barbara（加州大学圣塔芭芭拉分校）；Donostia International Physics Center（圣塞巴斯蒂安国际物理中心）；IKERBASQUE, Basque Foundation for Science（伊克尔巴斯基克，巴斯克科学基金会）；University of Minnesota（明尼苏达大学）
Correlated Dirac semimetal phases emerge in lightly doped (Tb- or La-doped) Mott insulator Sr$_2$IrO$_4$, where a d-wave symmetry-breaking order underlying a pseudogap plays a crucial role in determining the nature of Dirac degeneracy, i.e., whether it is a Dirac line node or Dirac point node. Here, using a realistic five-orbital tight-binding model with a Hubbard U and a semiclassical Boltzmann transport theory, we systematically study the low-energy electrodynamic properties of the Dirac semimetal phases in the paramagnetic lightly doped Sr$_2$IrO$_4$. We investigate the effects of the d-wav…
We study the effect of disorder on the semimetal -- Mott insulator transition in the half-filled repulsive Hubbard model on a honeycomb lattice, a system that features vanishing density of states at the Fermi level. Using the determinant quantum Monte Carlo method, we characterize various phases in terms of the bulk-limit antiferromagnetic (AF) order parameter, compressibility, and temperature-dependent DC conductivity. In the clean limit, our data are consistent with previous results showing a single quantum critical point separating the semi-metallic and AF Mott insulating phases. With the p…
Within the Landau paradigm, phases of matter are distinguished by spontaneous symmetry breaking. Implicit here is the assumption that a completely symmetric state exists: a paramagnet. At zero temperature such quantum featureless insulators may be forbidden, triggering either conventional order or topological order with fractionalized excitations. Such is the case for interacting particles when the particle number per unit cell, f, is not an integer. But, can lattice symmetries forbid featureless insulators even at integer f? An especially relevant case is the honeycomb (graphene) lattice --- …
We numerically investigate the critical behavior of the Hubbard model on the honeycomb and the $π$-flux lattice, which exhibits a direct transition from a Dirac semimetal to an antiferromagnetically ordered Mott insulator. We use projective auxiliary-field quantum Monte Carlo simulations and a careful finite-size scaling analysis that exploits approximately improved renormalization-group-invariant observables. This approach, which is successfully verified for the three-dimensional XY transition of the Kane-Mele-Hubbard model, allows us to extract estimates for the critical couplings and the cr…
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 and moderate SOC, a semimetallic phase emerges at large SOC in a broad range of Coulomb repulsion. This semimetallic phase has topological properties not observed in conventional metals such as a finite, non-quantized spin Hall conductivity. At large Coulomb repulsion and negligible spin-orbit coupling, electronic correlations stabilize a resonance valence b…
The search for materials with novel and unusual electronic properties is at the heart of condensed matter physics as well as the basis to develop conceptual new technologies. In this context, the correlated honeycomb transition metal oxides attract large attention for both, being a possible experimental realization of the theoretically predicted magnetic Kitaev exchange and the theoretical prospect of topological nontriviality. The Mott insulating sodium iridate is prototypical among these materials with the promising prospect to bridge the field of strongly correlated systems with topology, f…
Motivated by recent experiments on the triangular lattice Mott-Hubbard system kappa-(BEDT-TTF)2Cu2(CN)3, we develop a general formalism to investigate quantum spin liquid insulators adjacent to the Mott transition in Hubbard models. This formalism, dubbed the SU(2) slave-rotor formulation, is an extension of the SU(2) gauge theory of the Heisenberg model to the case of the Hubbard model. Furthermore, we propose the honeycomb lattice Hubbard model (at half-filling) as a candidate for a spin liquid ground state near the Mott transition; this is an appealing possibility, as this model can be stud…
We study superconductivity on the honeycomb lattice close to the Mott state at half-filling. Due to the sixfold lattice symmetry and disjoint Fermi surfaces at opposite momenta, we show that several different fully gapped superconducting states naturally exist on the honeycomb lattice, of which the chiral $d+id'$-wave state has previously been shown to appear when superconductivity appears close to the Mott state. Using renormalized mean-field theory to study the t-J model and quantum Monte Carlo calculations of the Hubbard-U model we show that the $d+id'$-wave state is the favored superconduc…
We investigate the Hubbard model on the honeycomb lattice with intrinsic spin orbit interactions as a paradigm for two-dimensional topological band insulators in the presence of interactions. Applying a combination of Hartree-Fock theory, slave-rotor techniques, and topological arguments, we show that the topological band insulating phase persists up to quite strong interactions. Then we apply the slave-rotor mean-field theory and find a Mott transition at which the charge degrees of freedom become localized on the lattice sites. The spin degrees of freedom, however, are still described by the…
Modification of interatomic distances due to high pressure leads to exotic phenomena, including metallicity, superconductivity and magnetism, observed in materials not showing such properties in normal conditions. In two-dimensional crystals, such as graphene, atomic bond lengths can be modified by more that 10 percent by applying in-plane strain, i.e., without generating high pressure in the bulk. In this work, we study the strain-induced Mott transition on a honeycomb lattice by using computationally inexpensive techniques, including Gutzwiller Wave Function (GWF) and different variants of G…
Based on the Cluster Perturbation solution of the Hubbard hamiltonian for a 2-D honeycomb lattice we present quasiparticle band structures of nanoribbons at half filling as a function of the on-site electron-electron repulsion. We show that at moderate values of e-e interaction ribbons with armachair shaped edges exhibit an unexpected semimetallic behavior, recovering the original insulating character only at larger values of $U$.
