Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half-filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, an independent layer approximation (ILA) is considered, in which the properties of each layer are approximated by a homogeneous bulk environment. A comparison between the two approaches reveals that the less expensive ILA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab.
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…
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…
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 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…
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…
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…
Motivated by recent experiments on the quantum-spin-liquid candidate material LiZn2Mo3O8, we study a single-band extended Hubbard model on an anisotropic Kagome lattice with the 1/6 electron filling. Due to the partial filling of the lattice, the inter-site repulsive interaction is necessary to generate Mott insulators, where electrons are localized in clusters, rather than at lattice sites. It is shown that these cluster Mott insulators are generally U(1) quantum spin liquids with spinon Fermi surfaces. The nature of charge excitations in cluster Mott insulators can be quite different from co…
Motivated by recent experiments on the quantum-spin-liquid candidate material LiZn2Mo3O8, we study a single-band extended Hubbard model on an anisotropic Kagome lattice with the 1/6 electron filling. Due to the partial filling of the lattice, the inter-site repulsive interaction is necessary to generate Mott insulators, where electrons are localized in clusters, rather than at lattice sites. We provide examples of such cluster Mott insulators and study the phase transitions between metallic states and cluster Mott insulators on an anisotropic Kagome lattice. It is shown that these cluster Mott…
Ultrafast laser pulses can redistribute charges in Mott insulators on extremely short time scales, leading to the fast generation of photocarriers. It has recently been demonstrated that these photocarriers can form a novel $η$--paired condensate at low temperatures, featuring a staggered superconducting pairing field. In this conference paper, we discuss the origin of the $η$--paired hidden phase and its optical response which may be detected in a pump-probe experiment. The hidden phase may be relevant for possible light-induced superconductivity in Mott insulators.
We use a nonequilibrium implementation of extended dynamical mean field theory to study the effect of dynamical screening in photo-excited Mott insulators. The insertion of doublons and holes adds low-energy screening modes and leads to a reduction of the Mott gap. The coupling to low-energy bosonic modes further- more opens new relaxation channels and significantly speeds up the thermalization process. We also consider the effect of the energy distribution of the doped carriers on the screening.
Employing extensive cellular dynamical mean-field theory (CDMFT) calculations with exact diagonalization impurity solver, we investigate the ground state phase diagrams and non-magnetic metal-insulator transitions of the half-filled Hubbard model on two plaquette -- the 1/5 depleted and checkerboard -- square lattices. We identify three different insulators in the phase diagrams: dimer insulator, antiferromagnetic insulator, and plaquette insulator. And we demonstrate that the plaquette insulator is a novel fragile Mott insulator (FMI) which features a nontrivial one-dimensional irreducible re…
Motivated by the direct observation of electronic phase separation in first-order Mott transitions, we model the interface between the thermodynamically coexisting metal and Mott insulator. We show how to model the required slab geometry and extract the electronic spectra. We construct an effective Landau free energy and compute the variation of its parameters across the phase diagram. Finally, using a linear mixture of the density and double-occupancy, we identify a natural Ising order parameter which unifies the treatment of the bandwidth and filling controlled Mott transitions.
We derived a simple metal-insulator criterion in analytical form for the doped Mott-Hubbard materials. Its readings closely related to the orbital and spin nature of the ground states of the unit cell. The available criterion readings (metal or insulator) in the paramagnetic phase points to the possibility of the insulator state of doped materials with the forbidden first removal electron states. According to its physical meaning the result is similar to Wilsons criterion in the itinerant electron systems. An application of the criterion to the high-Tc cuprates discussed.
Motivated by recent progress in the realization of artificial gauge fields and $SU(N)$ Mott insulators using alkaline-earth-like atoms in optical lattices, we develop an unbiased $SU(N)$ real-space dynamical mean-field theory (DMFT) approach to study the effect of spin-orbit coupling and onsite Hubbard interaction $U$ on $SU(3)$ fermionic systems. We investigate the behavior of the local magnetization, double occupancies, and the triple occupancy versus the Hubbard interaction across the metal to Mott insulator transition. We map out the magnetic phase diagram in the large-$U$ limit and show t…
We propose a phenomenological understanding of the recently discovered weak Mott insulator in the moiré superlattice of twisted bilayer graphene, especially the emergent superconductivity at low temperature within the weak Mott insulator phase, namely while lowering temperature, the longitudinal resistivity first grows below temperature $T_m$, but then rapidly drops to zero at even lower temperature $T_c$. An emergent superconductor in an insulator phase is very unusual. Here we propose that this phenomenon is due to the pure two-dimensional nature of the bilayer graphene moiré superlattice. W…
"Nonmagnetic" Dimer Mott insulator induced by the coupling of spin with quantum electric dipoles
基于强耦合分析，提出了一个有效的偶极自旋模型，该模型可以解释“自旋液体莫特绝缘体“的可能起源。这个问题与二聚体莫特绝缘体有关，它使人联想到有机三角晶格系统$κ$ Cu $_2$（CN）$_3$，它的无隙自旋液态已经在二聚体轨道上自旋之间交换耦合的几何阻挫（$J$）的背景下讨论过。事实证明，绝缘体中的另一个自由度，二聚体上的{ \it量子电偶极子}，通过库仑相互作用彼此相互作用，并通过偶极-自旋耦合带来对$J$的显著抑制。
To study excitonic effects on high-harmonic generation (HHG) in Mott insulators, we investigate pumped nonequilibrium dynamics in the one-dimensional extended Hubbard model. By employing time-dependent calculations based on the exact diagonalization and infinite time-evolving block decimation methods, we find the strong enhancement of the HHG intensity around the exciton energy. The subcycle analysis in the sub-Mott-gap regime shows that the intensity region of the time-resolved spectrum around the exciton energy splits into two levels and oscillates following the driving electric field. This …
Electrons undergoing a Mott transition may shed their charge but persist as neutral excitations of a quantum spin liquid (QSL). We introduce concrete two-dimensional models exhibiting this exotic behavior as they transition from superconducting or topological phases into fully charge-localized insulators. We study these Mott transitions and the confinement of neutral fermions at a second transition into a symmetry-broken phase. In the process, we also derive coupled-wire parent Hamiltonians for a non-Abelian QSL and a $\mathbb{Z}_4$ QSL.
The Mott insulating phase of the parent compounds is frequently taken as starting point for the underdoped high-$T_c$ cuprate superconductors. In particular, the pseudogap state is often considered as deriving from the Mott insulator. In this work, we systematically investigate different weakly-doped Mott insulators on the square and triangular lattice to clarify the relationship between the pseudogap and Mottness. We show that doping a two-dimensional Mott insulator does not necessarily lead to a pseudogap phase. Despite its inherent strong-coupling nature, we find that the existence or absen…
Mott insulators can be portrayed as "unsuccessful metals": systems in which a strong Coulomb repulsion prevents charge conduction notwithstanding the metal-like density of conduction electrons. The possibility to unlock such large density of frozen carriers with an electric field offers a tantalizing opportunity to realize new Mott-based microelectronic devices. Here we explicitly unveil how such unlocking happens by solving a simple, yet generic, model for correlated insulators using dynamical mean-field theory. Specifically, we show that the electric breakdown of a Mott insulator can occur v…
