Using Car-Parrinello molecular dynamics calculations we investigate the behavior of the low-dimensional multiorbital Mott insulator TiOCl under pressure. We show that the system undergoes {\it two} consecutive phase transitions, first at $P_\text{c}$ from a Mott-insulator to a metallic phase in the $ab$ plane with a strong Ti-Ti dimerization along $b$. At a pressure $P'_\text{c} > P_\text{c}$ the dimerization disappears and the system behaves as a uniform metal. This second transition has not yet been reported experimentally. We show that the insulator-to-metal transition at $P_\text{c}$ is driven by the widening of the bandwidth rather than structural changes or reduction of crystal field splittings and it shows a redistribution of the electronic occupation within the $t_{2g}$ bands. Our computed pressure-dependent lattice parameters are consistent with experimental observations and the existing controversy on the change of crystal symmetry at high pressures is discussed.
On the basis of ab initio density functional theory (DFT) calculations, we derive the underlying microscopic model Hamiltonian for TiOCl, a unique system that shows two consecutive phase transitions from a Mott insulator to a spin-Peierls insulator through a structurally incommensurate phase. We show with our model that the presence of magnetic frustration in TiOCl leads to a competition with the spin-Peierls distortion, which results in the novel incommensurate phase. In addition, our calculations indicate that the spin-Peierls state is triggered by adiabatic phonons, which is essential for u…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement with the high estimated value of the superexchange is obtained. The possibility of an electron-doped insulator-metal transition in $TiOCl$ is investigated in this scheme and a Mott-Hubbard transition with a jump in carrier density {\it inside} the metallic state is found. Clear, co-incident, discontinuous changes in orbital occupations are observed, showing …
We investigate the effect of Na intercalation in the layered Mott insulator TiOCl within the framework of density functional theory. We show that the system remains always insulating for all studied Na concentrations, and the evolution of the spectral weight upon Na doping is consistent with recent photoemission experiments. We predict the Na-doped superlattice structures, and show that substitutions of O by F, Cl by S, or Ti by V (or Sc), respectively, fail to metallize the system. We propose a description in terms of a multiorbital ionic Hubbard model in a quasi-two-dimensional lattice and d…
Pressure-dependent transmittance and reflectance spectra of TiOBr and TiOCl single crystals at room temperature suggest the closure of the Mott-Hubbard gap, i.e., the gap is filled with additional electronic states extending down to the far-infrared range. According to pressure-dependent x-ray powder diffraction data the gap closure coincides with a structural phase transition. The transition in TiOBr occurs at slightly lower pressure ($p$=14 GPa) compared to TiOCl ($p$=16 GPa) under hydrostatic conditions, which is discussed in terms of the chemical pressure effect. The results of pressure-de…
We studied the transmittance and reflectance of the low-dimensional Mott-Hubbard insulator TiOCl in the infrared and visible frequency range as a function of pressure. The strong suppression of the transmittance and the abrupt increase of the near-infrared reflectance above 12 GPa suggest a pressure-induced insulator-to-metal transition. The pressure-dependent frequency shifts of the orbital excitations, as well as the pressure dependences of the charge gap and the spectral weight of the optical conductivity above the phase transition are presented.
We study TiOCl as an example of an S=1/2 layered Mott insulator. From our analysis of new susceptibility data, combined with LDA and LDA+U band structure calculations, we conclude that orbital ordering produces quasi-one-dimensional spin chains and that TiOCl is a new example of Heisenberg-chains which undergo a spin-Peierls transition. The energy scale is an order of magnitude larger than that of previously known examples. The effects of non-magnetic Sc impurities are explained using a model of broken finite chains.
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 occupied (dyz) with a large hopping integral along the b direction of the crystal. The most important magnetic coupling is Ti-Ti along the b axis. The transition temperature (Tc) has a linear evolution with pressure, and at about 10 GPa this Tc is close to room temperature, leading to a room temperature spin-Peierls insulator-insulator transition, with an impor…
We have studied the electronic structure of the two-dimensional Heisenberg antiferromagnet VOCl using photoemission spectroscopy and density functional theory including local Coulomb repulsion. From calculated exchange integrals and the observed energy dispersions we argue that the degree of one-dimensionality regarding both the magnetic and electronic properties is noticeably reduced compared to the isostructural compounds TiOCl and TiOBr. Also, our analysis provides conclusive justification to classify VOCl as a multi-orbital Mott insulator. In contrast to the titanium based compounds densit…
The application of pressure can induce transitions between unconventional quantum phases in correlated materials. The inorganic compound TiOCl, composed of chains of S=1/2 Ti ions, is an ideal realization of a spin-Peierls system with a relatively simple unit cell. At ambient pressure, it is an insulator due to strong electronic interactions (a Mott insulator). Its resistivity shows a sudden decrease with increasing pressure, indicating a transition to a more metallic state which may coincide with the emergence of charge density wave order. Therefore, high pressure studies of the structure wit…
The spectral weight evolution of the low-dimensional Mott insulator TiOCl upon alkali-metal dosing has been studied by photoelectron spectroscopy. We observe a spectral weight transfer between the lower Hubbard band and an additional peak upon electron-doping, in line with quantitative expectations in the atomic limit for changing the number of singly and doubly occupied sites. This observation is an unconditional hallmark of correlated bands and has not been reported before. In contrast, the absence of a metallic quasiparticle peak can be traced back to a simple one-particle effect.
Recent studies demonstrated that there may appear different novel states in correlated systems close to localized-itinerant crossover. Especially favourable conditions for that are met in low-dimensional and in frustrated systems. In this paper I discuss on concrete examples some of such novel states. In particular, for some spinels and triangular systems there appears a "partial Mott transition", in which first some finite clusters (dimers, trimes, tetramers, heptamers) go over to the itinerant regime, and the real bulk Mott transition occurs only later. Also some other specific possibilities…
We study roles of electron correlations on topological insulators on the honeycomb lattice with the spin-orbit interaction. Accurate variational Monte Carlo calculations show that the increasing on-site Coulomb interactions cause a strong suppression of the charge Drude weight in the helical-edge metallic states leading to a presumable Mott transition from a conventional topological insulator to an edge Mott insulator before a transition to a bulk antiferromagnetic insulator. The intermediate bulk-topological and edge-Mott-insulator phase has a helical spin-liquid character with the protected …
Based on the Phase Hamiltonian, two types of solitons are found to exist in the crossover region between band insulator and Mott insulator in one-dimension. Both of these solitons have fractional charges but with different spins, zero and 1/2, respectively. The results are in accord with the experimental results by Kanoda et al. for TTF-Chloranil under pressure.
Using a quantum chemical cluster-in-solid computational scheme, we calculate the local d-d excitation energies for two strongly correlated Mott insulators, the oxychlorides TiOCl and VOCl. TiOCl harbors quasi-one-dimensional spin chains made out of S = 1/2 Ti3+ ions while the electronic structure of VOCl displays a more two-dimensional character. We find in both cases that the lowest-energy d-d excitations are within the t2g subshell, starting at 0.34 eV and indicating that orbital degeneracies are significantly lifted. In the vanadium oxychloride, spin triplet to singlet excitations are calcu…
We discuss the photovoltaic effect at a p-n heterojunction, in which the illuminated side is a doped Mott insulator, using the simplest description of a Mott insulator within the Hubbard model. We find that the internal quantum efficiency of such a device, if we choose an appropriate narrow-gap Mott insulator, can be significantly enhanced due to impact ionization caused by the photoexcited ``hot'' electron/hole pairs. Namely, the photoexcited electron and/or hole can convert its excess energy beyond the Mott-Hubbard gap to additional electrical energy by creating multiple electron/hole pairs …
The ground state phase diagram of the half-filled repulsive Hubbard model in a bilayer is investigated using cluster dynamical mean field theory. For weak to intermediate values of Coulomb repulsion $U$, the system undergoes a transition from a Mott insulating phase to a metallic phase and then onto a band insulating phase as the interlayer hopping is increased. In the strong coupling case, the model exhibits a direct crossover from a Mott insulating phase to a band insulating phase. These results are robust with respect to the presence or absence of magnetic order.
Mott insulator to metal transitions under electric field are currently the subject of numerous fundamental and applied studies. This puzzling effect, which involves non-trivial out-of-equilibrium effects in correlated systems, is indeed at play in the operation of a new class of electronic memories, the Mott memories. However the combined electronic and thermal effects are difficult to disentangle in Mott insulators undergoing such transitions. We report here a comparison between the properties under electric field of a canonical Mott insulator and a model built on a realistic 2D resistor netw…
In an electronic system with various interactions intertwined, revealing the origin of its many-body ground state is challenging and a direct experimental way to verify the correlated nature of an insulator has been lacking. Here we demonstrate a way to unambiguously distinguish a paradigmatic correlated insulator, a Mott insulator, from a trivial band insulator based on their distinct chemical behavior for a surface adsorbate using 1T-TaS2, which has been debated between a spin-frustrated Mott insulator or a spin-singlet trivial insulator. We start from the observation of different sizes of s…
We study the problem of designing an artificial Mott insulator in a correlated oxide heterostructure. We consider the extreme limit of quantum confinement based on ionic discontinuity doping, and argue that a unique dimer Mott insulator can be achieved for the case of a single SrO layer in a GdTiO$_3$ matrix. In the dimer Mott insulator, electrons are localized not to individual atoms but to bonding orbitals on molecular dimers formed across a bilayer of two TiO$_2$ planes, and is analogous to the Mott insulating state of Hubbard ladders, studied in the 1990s. We verify the existence of the di…
$^{13}$C nuclear magnetic resonance measurements were performed for a single-component molecular material Zn(tmdt)$_{2}$, in which tmdt's form an arrangement similar to the so-called $κ$-type molecular packing in quasi-two-dimensional Mott insulators and superconductors. Detailed analysis of the powder spectra uncovered local spin susceptibility in the tmdt $π$ orbitals. The obtained shift and relaxation rate revealed the singlet-triplet excitations of the $π$ spins, indicating that Zn(tmdt)$_{2}$ is a spin-gapped Mott insulator with exceptionally large electron correlations compared to conven…
Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit coupling (SOC) by using the newly developed local density approximation plus Gutzwiller method. Our theoretical study proposes the metal-insulator transition can be generated by two different physical pictures: renormalized band insulator or Mott insulator regime. For the realistic material parameters in NaIrO$_3$, Coulomb interaction $U=2.0 (J=U/4)$ eV and SOC st…
To study digital Mott insulator LaTiO3 and band insulator SrTiO3 interfaces, we apply correlated band theory (LDA+U) to (n,m) multilayers, 1<n,m<9. If the on-site repulsion on Ti is large enough to model the magnetic insulating behavior of cubic bulk LaTiO3, the charge imbalance at the interface is found in all cases to be accommodated by disproportionation (Ti4+ + Ti3+), charge ordering, and Ti3+ d_xy-orbital ordering, with antiferromagnetic exchange coupling between the spins in the interface layer. Lattice relaxation affects the conduction behavior by shifting (slightly but importantly) the…
We theoretically study the nonlinear optical response and photoexcited states of the Mott insulators. The nonlinear optical susceptibility χ^(3) is calculated by using the exact diagonalization technique on small clusters. From the systematic study of the dependence of χ^(3) on dimensionality, we find that the spin-charge separation plays a crucial role in enhancing χ^(3) in the one-dimensional (1D) Mott insulators. Based on this result, we propose a holon-doublon model, which describes the nonlinear response in the 1D Mott insulators. These findings show that the spin-charge separation will b…
The inverse Faraday effect (IFE), where a static magnetization is induced by circularly polarized light, offers a promising route to ultrafast control of spin states. Here we study the IFE in Mott insulators using the Floquet theory. We find two distinct IFE behavior governed by the inversion symmetry. In the Mott insulators with inversion symmetry, we find that the effective magnetic field induced by the IFE couples ferromagnetically to the neighboring spins. While for the Mott insulators without inversion symmetry, the effective magnetic field due to IFE couples antiferromagnetically to the …
Mott transitions induced by strong electric fields are receiving a growing interest. Recent theoretical proposals have focused on the Zener dielectric breakdown in Mott insulators, however experimental studies are still too scarce to conclude about the mechanism. Here we report a study of the dielectric breakdown in the narrow gap Mott insulators GaTa$_4$Se$_{8-x}$Te$_x$. We find that the I-V characteristics and the magnitude of the threshold electric field (E$_{th}$) do not correspond to a Zener breakdown, but rather to an avalanche breakdown. E$_{th}$ increases as a power law of the Mott Hub…
We demonstrate theoretically that the electronic ground state of the potassium-covered Si(111)-B surface is a Mott insulator, explicitly contradicting band theory but in good agreement with recent experiments. We determine the physical structure by standard density-functional methods, and obtain the electronic ground state by exact diagonalization of a many-body Hamiltonian. The many-body conductivity reveals a Brinkman-Rice metal-insulator transition at a critical interaction strength; the calculated interaction strength is well above this critical value.
Motivated from recent experiments in kappa-(BEDT-TTF)_2Cu_2(CN)_3, dielectric and magnetic properties in a dimer-Mott insulator are studied. We derive the effective Hamiltonian where the number of electron per dimer is taken to be one. Charge and magnetic structures in finite temperature are obtained by using the mean-field and Monte-Carlo methods. Magnetic and ferroelectric phases are exclusive with each other. Dielectric fluctuation is remarkable near a phase boundary between dimer-Mott phase and ferroelectric phase. Implications of the present results for kappa-(BEDT-TTF)_2Cu_2(CN)_3 are di…
Resistive switching can be achieved in a Mott insulator by applying current/voltage, which triggers an insulator-metal transition (IMT). This phenomenon is key for understanding IMT physics and developing novel memory elements and brain-inspired technology. Despite this, the roles of electric field and Joule heating in the switching process remain controversial. We resolve this issue by studying nanowires of two archetypical Mott insulators - VO2 and V2O3. Our findings show a crossover between two qualitatively different regimes. In one, the IMT is driven by Joule heating to the transition tem…
Quantum spin liquid states, in which spins are quantum-mechanically delocalized in direction, have been so far studied for charge-localized Mott insulators arising from strong repulsive interaction. Recently, however, it was found that the doped Mott insulator with a triangular lattice, $κ$-(ET)$_4$Hg$_{2.89}$Br$_8$, exhibits both spin-liquid-like magnetism and metallic electrical conduction. Thus, it is now possible to experimentally explore how the spin liquidity affects the electrical conduction, an issue that has received a great deal of theoretical attention. Here, with a newly developed …
The phase diagram of model Mott-insulator--band-insulator heterostructures is studied using the semiclassical approximation to the dynamical-mean-field method as a function of thickness, coupling constant, and charge confinement. An interface-stabilized ferromagnetic phase is found, allow the study of its competition and possible coexistence with the antiferromagnetic order characteristic of the bulk Mott insulator.
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…
In an attempt to clarify the nature of the crossover from a Peierls band insulator to a Mott Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein Hubbard model using exact diagonalization techniques.
We point out the generic competition between the Hund's coupling and the spin-orbit coupling in correlated materials, and this competition leads to an electronic dilemma between the Hund's metal and the relativistic insulators. Hund's metals refer to the fate of the would-be insulators where the Hund's coupling suppresses the correlation and drives the systems into correlated metals. Relativistic Mott insulators refer to the fate of the would-be metals where the relativistic spin-orbit coupling enhances the correlation and drives the systems into Mott insulators. These contradictory trends are…
Mott insulator plays a central role in strongly correlated physics, where the repulsive Coulomb interaction dominates over the electron kinetic energy and leads to insulating states with one electron occupying each unit cell. Doped Mott insulator is often described by the Hubbard model3, which can give rise to other correlated phenomena such as unusual magnetism and even high-temperature superconductivity. A tunable Mott insulator, where the competition between the Coulomb interaction and the kinetic energy can be varied in situ, can provide an invaluable model system for the study of Mott phy…
We introduce a novel extension of the Gutzwiller variational wavefunction able to deal with insulators that escape any mean-field like description, as for instance non-magnetic insulators. As an application, we study the Mott transition from a paramagnetic metal into a non-magnetic Peierls, or valence-bond, Mott insulator. We analyze this model by means of our Gutzwiller wavefunction analytically in the limit of large coordination lattices, where we find that: (1) the Mott transition is first order; (2) the Peierls gap is large in the Mott insulator, although it is mainly contributed by the el…
An analysis of Luttinger's theorem shows that -- contrary to recent claims -- it is not valid for a generic Mott insulator. For a two-orbital Hubbard model with two electrons per site the crossover from a non-magnetic correlated insulating phase (Mott or Kondo insulator) to a band insulator is investigated. Mott insulating phases are characterized by poles of the self-energy and corresponding zeros in the Greens functions defining a ``Luttinger surface'' which is absent for band insulators. Nevertheless, the ground states of such insulators with two electrons per unit cell are adiabatically co…
We use the dynamical mean field method to investigate electronic properties of heterostructures in which finite number of Mott-insulator layers are embedded in a spatially infinite band-insulator. The evolution of the correlation effects with the number of Mott insulating layers and with position in the heterostructure is determined, and the optical conductivity is computed. It is shown that the heterostructures are generally metallic, with moderately renormalized bands of quasiparticles appearing at the interface between the correlated and uncorrelated regions.
The question if a Mott insulator and a band insulator are fundamentally different has been the matter of intensive research recently. Here we consider a simple model which allows by tuning one parameter to go continously from a Mott insulator to band insulator. The model consists of two Hubbard systems connected by single particle hopping. The Hubbard Hamiltonian is solved by the Dynamical Mean-Field theory using Quantum Monte Carlo to solve the resulting quantum impurity problem. The quasiparticle spectral function is calculated. Here we focus on the optical conductivity and in particular on …
The electronic structure at the interface between a topological band insulator and a Mott insulator is studied within layer dynamical mean field theory. To represent the bulk phases of these systems, we use the generalized Bernevig-Hughes-Zhang model that incorporates the Hubbard-like onsite Coulomb energy U in addition to the spin-orbit coupling term that causes band inversion. The topological and Mott insulating phases are realized by appropriately choosing smaller and larger values of U, respectively. As expected, the interface is found to be metallic because of the localized edge state. Wh…
We investigate properties of a topological Mott insulator in one dimension by examining the bulk topological invariant and the entanglement spectrum of a correlated electron model. We clarify how gapless edge states in a non-interacting topological band insulator evolve into spinon edge states in a topological Mott insulator. Furthermore, we propose a topological Mott transition, which is a new type of topological phase transition and never observed in free fermion systems. This unconventional transition occurs in spin liquid phases in the Mott insulator and is accompanied by zeros of the sing…
The Gutzwiller wave function for a strongly correlated model can, if supplemented with a long-range Jastrow factor, provide a proper variational description of Mott insulators, so far unavailable. We demonstrate this concept in the prototypical one-dimensional $t-t^\prime$ Hubbard model, where at half filling we reproduce all known phases, namely the ordinary Mott undimerized insulator with power-law spin correlations at small $t^\prime/t$, the spin-gapped metal above a critical $t^\prime/t$ and small $U$, and the dimerized Mott insulator at large repulsion.
We theoretically discover purely electronic polarization modes in THz frequency region in dimer Mott insulators $κ$-(BEDT-TTF)$_2$X. The unusual low-frequency modes arise from the coupling between the oscillation of intradimer electric dipole moments and that of alternating interdimer bond orders. These collective motions play an important role in the dynamical dielectric properties of the dimer Mott insulators. Near the phase boundary of the dimer Mott transition, the ferroelectric ground state is realized by introducing electron-lattice coupling.
Motivated by the commonplace observation of Mott insulators away from integer filling, we construct a simple thermodynamic argument for phase separation in first-order doping-driven Mott transitions. We show how to compute the critical dopings required to drive the Mott transition using electronic structure calculations for the titanate family of perovskites, finding good agreement with experiment. The theory predicts the transition is percolative and should exhibit Coulomb frustration.
We provide the first unbiased evidence for a higher-order topological Mott insulator in three dimensions by numerically exact quantum Monte Carlo simulations. This insulating phase is adiabatically connected to a third-order topological insulator in the noninteracting limit, which features gapless modes around the corners of the pyrochlore lattice and is characterized by a $\mathbb{Z}_{4}$ spin-Berry phase. The difference between the correlated and non-correlated topological phases is that in the former phase the gapless corner modes emerge only in spin excitations being Mott-like. We also sho…
We derive the phase diagram for the one-dimensional model of a ferroelectric perovskite recently introduced by Egami, Ishihara and Tachiki [Science, {\bf 261}, 1307 (1993)]. We show that the interplay between covalency, ionicity and strong correlations results in a spontaneously dimerized phase which separates the weak-coupling band insulator from the strong-coupling Mott insulator. The transition from the band insulator to the dimerized phase is identified as an Ising critical point. The charge gap vanishes at this single point with the optical conductivity diverging as $σ(ω)\sim ω^{-3/4}$. T…
We present a new type of colossal magnetoresistance (CMR) arising from an anomalous collapse of the Mott insulating state via a modest magnetic field in a bilayer ruthenate, Ti-doped Ca$_3$Ru$_2$O$_7$. Such an insulator-metal transition is accompanied by changes in both lattice and magnetic structures. Our findings have important implications because a magnetic field usually stabilizes the insulating ground state in a Mott-Hubbard system, thus calling for a deeper theoretical study to reexamine the magnetic field tuning of Mott systems with magnetic and electronic instabilities and spin-lattic…
By using a combination of detailed experimental studies and simple theoretical arguments, we identify a novel mechanism characterizing the hopping transport in the Mott insulating phase of Ca$_{2-x}$Sr$_x$RuO$_4$ near the metal-insulator transition. The hopping exponent $α$ shows a systematic evolution from a value of $α=1/2$ deeper in the insulator to the conventional Mott value $α=1/3$ closer to the transition. This behavior, which we argue to be a universal feature of disordered Mott systems close to the metal-insulator transition, is shown to reflect the gradual emergence of disorder-induc…
The Mott insulator is the quintessential strongly correlated electronic state. We obtain complete insight into the physics of the two-dimensional Mott insulator by extending the slave-fermion (holon-doublon) description to finite temperatures. We first benchmark its predictions against state-of-the-art quantum Monte Carlo simulations, demonstrating quantitative agreement. Qualitatively, the short-ranged spin fluctuations both induce holon-doublon bound states and renormalize the charge sector to form the Hubbard bands. The Mott gap is understood as the charge gap renormalized downwards by thes…
Motivated by recent experimental measurements on pressure-driven phase transitions in Mott-insulators as well as the new iron pnictide superconductors, we show that first principles Car-Parrinello molecular dynamics calculations are a powerful method to describe the microscopic origin of such transitions. We present results for (i) the pressure-induced insulator to metal phase transition in the prototypical Mott insulator TiOCl as well as (ii) the pressure-induced structural and magnetic phase transitions in the family of correlated metals $A$Fe$_2$As$_2$ ($A$=Ca,Sr,Ba). Comparison of our pred…
The experimentally observed, ambipolar field-effect characteristics of Mott insulators are reproduced in the one-dimensional Hubbard model attached to a tight-binding model for source and drain electrodes. The formation of Schottky barriers, originating from the work-function difference, is taken into account by a potential satisfying the Poisson equation with an appropriate boundary condition. Then, these field-effect characteristics are shown to be related by unique current-voltage characteristics of metal-Mott-insulator interfaces.
We point out and explicitly demonstrate a close connection that exists between featureless Mott insulators and fractional quantum Hall liquids. Using magnetic Wannier states as the single-particle basis in the lowest Landau level (LLL), we demonstrate that the Hamiltonian of interacting bosons in the LLL maps onto a Hamiltonian of a featureless Mott insulator on triangular lattice, formed by the magnetic Wannier states. The Hamiltonian is remarkably simple and consists only of short-range repulsion and ring-exchange terms.
We study the topological properties of Bose-Mott insulators in one-dimensional non-Hermitian superlattices, which may serve as effective Hamiltonians for cold atomic optical systems with either two-body loss or one-body loss. We find that in the strongly repulsive limit, the Mott insulator states of the Bose-Hubbard model with a finite two-body loss under integer fillings are topological insulators characterized by a finite charge gap, nonzero integer Chern numbers, and nontrivial edge modes in a low-energy excitation spectrum under an open boundary condition. The two-body loss suppressed by t…
We introduce the concept that there are two generic classes of Mott insulators in nature. They are distinguished by their responses to weak doping. Doped charges form cluster (i.e. distribute inhomogeneously) in type I Mott insulators while distribute homogeneously in type II Mott insulators. We present our opinion on the role inhomogeneity plays in the cuprates.
We investigate proximity effects in a correlated heterostructure of a two-dimensional Mott insulator (MI) and a topological insulator (TI) by employing inhomogeneous dynamical mean-field theory. We show that the edge state of the TI induces strongly renormalized mid-gap states inside the MI region, which still have a remnant of the helical energy-spectrum. The penetration of low-energy electrons, which is controlled by the interface tunneling $V$, largely enhances the electron mass inside the MI and also splits a single Dirac-cone at edge sites into the spatially-separated two Dirac-cones in t…
A theory of heterostructures comprised of LaTiO$_3$ (a Mott insulator) and SrTiO$_3$ (a band insulator) is presented. The band structure of the Ti $d$% -electrons is treated with a nearest neighbor tight-binding approximation; the electric fields arising from the La$^{3+}$/Sr$^{2+}$ charge difference and the carriers are treated within a Hartree approximation; and the on-site interactions are treated by unrestricted Hartree-Fock. The phase diagram as a function of interaction strength and layer number is determined and predictions are made for optical conductivity experiments. A note worthy fi…
We consider a heterostructure of a metal and a paramagnetic Mott insulator using an adaptation of dynamical mean field theory to describe inhomogeneous systems. The metal can penetrate into the insulator via the Kondo effect. We investigate the scaling properties of the metal-insulator interface close to the critical point of the Mott insulator. At criticality, the quasiparticle weight decays as 1/x^2 with distance x from the metal within our mean field theory. Our numerical results (using the numerical renormalization group as an impurity solver) show that the prefactor of this power law is e…
