Matthew J. Wahila, Nicholas F. Quackenbush, Jerzy T. Sadowski, Jon-Olaf Krisponeit, Jan Ingo Flege, Richard Tran, Shyue Ping Ong, Christoph Schlueter, Tien-Lin … 展开作者
Matthew J. Wahila, Nicholas F. Quackenbush, Jerzy T. Sadowski, Jon-Olaf Krisponeit, Jan Ingo Flege, Richard Tran, Shyue Ping Ong, Christoph Schlueter, Tien-Lin Lee, Megan E. Holtz, David A. Muller, Hanjong Paik, Darrell G. Schlom, Wei-Cheng Lee, Louis F. J. Piper
Transition metal oxides such as vanadium dioxide (VO$_2$), niobium dioxide (NbO$_2$), and titanium sesquioxide (Ti$_2$O$_3$) are known to undergo a temperature-dependent metal-insulator transition (MIT) in conjunction with a structural transition within their bulk. However, it is not typically discussed how breaking crystal symmetry via surface termination affects the complicated MIT physics. Using synchrotron-based x-ray spectroscopy, low energy electron diffraction (LEED), low energy electron microscopy (LEEM), transmission electron microscopy (TEM), and several other experimental techniques, we show that suppression of the bulk structural transition is a common feature at VO$_2$ surfaces. Our density functional theory (DFT) calculations further suggest that this is due to inherent reconstructions necessary to stabilize the surface, which deviate the electronic structure away from the bulk d$^1$ configuration. Our findings have broader ramifications not only for the characterization of other "Mott-like" MITs, but also for any potential device applications of such materials.
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 study the nonequilibrium steady state of a Mott insulator coupled to a thermostat and driven by a constant electric field, starting from weak fields, until the dielectric breakdown, and beyond. We find that the conventional Zener picture does not describe the steady-state physics. In particular, the current at weak field is found to be controlled by the dissipation. Moreover, in connection with the electric-field-driven dimensional crossover, we find that the dielectric breakdown occurs when the field strength is on the order of the Mott gap of the corresponding lower-dimensional system. We…
Non-linear transport of electrons in strong electric fields, as typified by dielectric breakdown, is re-formulated in terms of the ground-state decay rate originally studied by Schwinger in non-linear QED. We discuss the effect of electron interaction on Zener tunneling by comparing the dielectric breakdown of the band insulator and the Mott insulator, where the latter is studied by the time-dependent density-matrix renormalization group (DMRG). The relation with the Berry's phase theory of polarization is also established.
Nonlinear response of a Mott insulator to external electric field, corresponding to dielectric breakdown phenomenon, is studied within of a one-dimensional half-filled Hubbard model. It is shown that in the limit of nearly spin polarized insulator the decay rate of the ground state into excited holon-doublon pairs can be evaluated numerically as well to high accuracy analytically. Results show that the threshold field depends on the charge gap as $F_{th} \propto Δ^{3/2}$. Numerical results on small systems indicate on the persistence of a similar mechanism for the breakdown for decreasing magn…
The validity of the Luttinger sum rule is investigated within the prototype tight-binding model of interacting fermions in one dimension, i.e., the t-V model including the next-nearest neighbor hopping t' in order to break the particle-hole symmetry. Scaling analysis of finite-system results at half-filling reveals evident breakdown of the sum rule in the regime of large gap at V >> t, while the sum rule appears to recover together with vanishing of the Mott-Hubbard gap.
We show within the slave boson technique, that the Anderson lattice model exhibits a Kondo breakdown quantum critical point (KB-QCP) where the hybridization goes to zero at zero temper- ature. At this fixed point, the f-electrons experience as well a selective Mott transition separating a local-moment phase from a Kondo-screened phase. The presence of a multi-scale QCP in the An- derson lattice in the absence of magnetism is discussed in the context of heavy fermion compounds. This study is the first evidence for a selective Mott transition in the Anderson lattice.
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 investigate the momentum distribution function near the Mott-Hubbard transition in the one-dimensional t1-t2 Hubbard model (the zig-zag Hubbard chain), with the density-matrix renormalization-group technique. We show that for strong interactions the Mott-Hubbard transition occurs between the metallic-phase and an insulating dimerized phase with incommensurate spin excitations, suggesting a decoupling of magnetic and charge excitations not present in weak coupling. We illustrate the signatures for the Mott-Hubbard transition and the commensurate-incommensurate transition in the insulating sp…
Using nonequilibrium dynamical mean-field theory, we compute the time evolution of the current in a Mott insulator after a strong electric field is turned on. We observe the formation of a quasistationary state in which the current is almost time-independent although the system is constantly excited. At moderately strong fields this state is stable for quite long times. The stationary current exhibits a threshold behavior as a function of the field, in which the threshold increases with the Coulomb interaction and vanishes as the metal-insulator transition is approached.
We study the breakdown of a Mott insulator with the thermodynamic imbalance induced by an applied bias voltage. By analyzing the instabilities of the magnetic susceptibility, we describe a rich non-equilibrium phase diagram, obtained for different applied voltages, that exhibits phases with a spatially patterned charge gap. For a finite voltage, smaller than the value of the equilibrium Mott gap, the formation of patterns coincides with the emergence of mid-gap states contributing to a finite steady-state conductance. We discuss the experimental implications of this new scenario of Mott breakd…
We study the photoinduced breakdown of a two-orbital Mott insulator and resulting metallic state. Using time-dependent density matrix renormalization group, we scrutinize the real-time dynamics of the half-filled two-orbital Hubbard model interacting with a resonant radiation field pulse. The breakdown, caused by production of doublon-holon pairs, is enhanced by Hund's exchange, which dynamically activates large orbital fluctuations. The melting of the Mott insulator is accompanied by a high to low spin transition with a concomitant reduction of antiferromagnetic spin fluctuations. Most notabl…
Using dynamical mean-field theory and the non-crossing approximation as impurity solver, we study the response of a Mott insulator to strong dc electric fields. The breakdown of the Mott insulating state is triggered by field-induced creation of doublon-hole pairs. In a previous investigation, Ref. [1], it was found that the system approaches a long-lived quasi-steady state in which the current is time-independent although the number of carriers constantly increases. Here we investigate and clarify the nature of this state, which exists only because thermalization is slow in the Hubbard model …
The nonadiabatic quantum tunneling picture, which may be called the many-body Schwinger-Landau-Zener mechanism, for the dielectric breakdown of Mott insulators in strong electric fields is studied in the one-dimensional Hubbard model. The tunneling probability is calculated by a metod due to Dykhne-Davis-Pechukas with an analytical continuation of the Bethe-ansatz solution for excited states to a non-Hermitian case. A remarkable agreement with the time-dependent density matrix renormalization group result is obtained.
We discuss a scaling theory of the lattice response in the vicinity of a finite-temperature critical end point. The thermal expansivity is shown to be more singular than the specific heat such that the Grüneisen ratio diverges as the critical point is approached, except for its immediate vicinity. More generally, we express the thermal expansivity in terms of a scaling function which we explicitly evaluate for the two-dimensional Ising universality class. Recent thermal expansivity measurements on the layered organic conductor kappa-(BEDT-TTF)_2 X close to the Mott transition are well describe…
We reinvestigate the pressure dependence of the crystal structure and antiferromagnetic phase transition in MnTe$_2$ by the rigorous and reliable tool of high pressure neutron powder diffraction. First-principles density functional theory calculations are carried out in order to gain microscopic insight. The measured Néel temperature of MnTe$_2$ is found to show unusually large pressure dependence of $12$ K GPa$^{-1}$. This gives rise to large violation of Bloch's rule given by $α=\frac{d\log T_N}{d\log V}=-\frac{10}{3} \approx -3.3$, to a $α$ value of -6.0 $\pm$ 0.1 for MnTe$_2$. The ab-initi…
Time-dependent nonequilibrium properties of a strongly correlated electron system driven by large electric fields is obtained by means of solving the time-dependent Schrödinger equation for the many-body wave function numerically in one dimension. While the insulator-to-metal transition depends on the electric field and the interaction, the metallization is found to be described in terms of a universal Landau-Zener quantum tunneling among the many-body levels. These processes induces current oscillation for small systems, while give rise to finite resistivity through dissipation for larger sys…
Nonequilibrium states induced by an applied bias voltage (V) and the corresponding current-voltage characteristics of one-dimensional models describing band and Mott insulators are investigated theoretically by using nonequilibrium Green's functions. We attach the models to metallic electrodes whose effects are incorporated into the self-energy. Modulation of the electron density and the scalar potential coming from the additional long-range interaction are calculated self-consistently within the Hartree approximation. For both models of band and Mott insulators with length L_C, the bias volta…
We show that doped Mott insulators, such as the copper-oxide superconductors, are asymptotically slaved in that the quasiparticle weight, $Z$, near half-filling depends critically on the existence of the high energy scale set by the upper Hubbard band. In particular, near half filling, the following dichotomy arises: $Z\ne 0$ when the high energy scale is integrated out but Z=0 in the thermodynamic limit when it is retained. Slavery to the high energy scale arises from quantum interference between electronic excitations across the Mott gap. Broad spectral features seen in photoemission in the …
We show that doped Mott insulators exhibit a collective degree of freedom, not made out of the elemental excitations, because the number of single-particle addition states at low energy per electron per spin is greater than one. The presence of such a collective degree of freedom which is not a consequence of proximity to a phase transition is a consequence of dynamical spectral weight transfer from high to low energies. This physics is captured by the charge $2e$ boson that emerges by explicitly integrating out the high-energy scale in the Hubbard model. The charge $2e$ boson binds to a hole,…
We study the thermoelectric effect of two-dimensional metals on a square lattice within semiclassical Boltzmann transport theory with particular focus on electron-electron scattering. We compute the electrical conductivity and the Seebeck coefficient as a function of band filling and temperature for generically chosen hopping parameters in a two-dimensional tight-binding model. The Boltzmann equation is solved numerically after computing the full collision integral, taking the angular and radial degrees of freedom into account. These degrees of freedom of the collision integral, neglected in t…
We calculate the non-equilibrium electronic transport properties of a one-dimensional interacting chain at half filling, coupled to non-interacting leads. The interacting chain is initially in a Mott insulator state that is driven out of equilibrium by applying a strong bias voltage between the leads. For bias voltages above a certain threshold we observe the breakdown of the Mott insulator state and the establishment of a steady-state electronic current through the system. Based on extensive time-dependent density matrix renormalization group simulations, we show that this steady-state curren…
In this work, we explore the possibility of emergent nonequilibrium steady states arising from the electric-field-driven Mott insulator via the Keldysh-Floquet dynamical mean field theory (DMFT), which can determine the fully-interacting, nonequilibrium steady-state Green's functions with the noninteracting counterparts as an input to the DMFT self-consistency loop. Unlike the retarded component, obtaining the lesser Green's function for the noninteracting system presents an important obstacle since the thermalization of the noninteracting system still requires a precise understanding of the d…
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 ruthenates. While the SOC favors metallic state due to enhancement of orbital hybridization at smaller on-site Coulomb repulsions, it stabilizes the Mott insulating state ascribed to lifting of orbital degeneracies and enhancement of band polarizations at larger electronic interaction. Moreover, an orbitally-selective non-Fermi liquid (OSnFL), where breakdown an…
The transition voltage of an abrupt metal-insulator transition (MIT), observed by applying an electric field to two-terminal devices fabricated on a Mott insulator VO_2 film, decreases with increasing temperature up to 334K. The abrupt current jump disappears above 334 K near the MIT temperature. These results suggest that the mechanism of the abrupt MIT induced by temperature is the same as that by an electric field. The magnitude of the current jump (a large current) decreases with increasing external resistance; this is an important observation in terms of applying the abrupt MIT to device …
We prove that the Mott insulating state is characterized by a divergence of the electron self energy at well-defined values of momenta in the first Brillouin zone. When particle-hole symmetry is present, the divergence obtains at the momenta of the Fermi surface for the corresponding non-interacting system. Such a divergence gives rise to a surface of zeros (the Luttinger surface) of the single-particle Green function and offers a single unifying principle of Mottness from which pseudogap phenomena, spectral weight transfer, and broad spectral features emerge in doped Mott insulators. We also …
We present the theory of thermoelectric transport in metals with long-lived quasiparticles, carefully addressing the interplay of electron-electron scattering as well as electron-impurity scattering, but neglecting electron-phonon scattering. In Fermi liquids with a large Fermi surface and weak electron-impurity scattering, we provide universal and simple formulas for the behavior of the thermoelectric conductivities across the ballistic-to-hydrodynamic crossover. In this regime, the electrical conductivity is relatively unchanged by hydrodynamic effects. In contrast, the thermal conductivity …
We study numerically the voltage-induced breakdown of a Mott insulating phase in a system of charged classical particles with long-range interactions. At half-filling on a square lattice this system exhibits Mott localization in the form of a checkerboard pattern. We find universal scaling behavior of the current at the dynamic Mott insulator-metal transition and calculate scaling exponents corresponding to the transition. Our results are in agreement, up to a difference in universality class, with recent experimental evidence of dynamic Mott transition in a system of interacting superconducti…
We describe the critical behavior of electric field-driven (dynamic) Mott insulator-to-metal transitions in dissipative Fermi and Bose systems in terms of non-Hermitian Hamiltonians invariant under simultaneous parity (P) and time-reversal (T) operations. The dynamic Mott transition is identified as a PT symmetry-breaking phase transition, with the Mott insulating state corresponding to the regime of unbroken PT symmetry with a real energy spectrum. We establish that the imaginary part of the Hamiltonian arises from the combined effects of the driving field and inherent dissipation. We derive …
The critical properties of the finite temperature Mott endpoint are drastically altered by a coupling to crystal elasticity, i.e., whenever it is amenable to pressure tuning. Similar as for critical piezoelectric ferroelectrics, the Ising criticality of the electronic system is preempted by an isostructural instability, and long-range shear forces suppress microscopic fluctuations. As a result, the endpoint is governed by Landau criticality. Its hallmark is thus a breakdown of Hooke's law of elasticity with a non-linear strain-stress relation characterized by a mean-field exponent. Based on a …
We study both the electrical and thermal transport near the heavy-fermion quantum critical point (QCP), identified with the breakdown of the Kondo effect as an orbital selective Mott transition. We show that the contribution to the electrical conductivity comes mainly from conduction electrons while the thermal conductivity is given by both conduction electrons and localized fermions (spinons), scattered with dynamical exponent $z = 3$. This scattering mechanism gives rise to a quasi-linear temperature dependence of the electrical and thermal resistivity. The characteristic feature of the Kond…
Motivated by recent experiments on the finite temperature Mott transition in VO2 films, we propose a classical coarse-grained dielectric breakdown model where each degree of freedom represents a nanograin which transitions from insulator to metal with increasing temperature and voltage at random thresholds due to quenched disorder. We describe the properties of the resulting non-equilibrium metal-insulator transition and explain the universal characteristics of the resistance jump distribution. We predict that by tuning voltage, another critical point is approached, which separates a phase of …
In moiré systems with twisted bilayer graphene (tBLG), the amplification of Coulomb correlation effects at low twist angles ($θ$) is a result of nearly flat low-energy electronic bands and divergent density of states (DOS) at van Hove singularities (vHS). This not only causes superconductivity, Mott insulating states, and quantum anomalous Hall effect close to the critical (or magic) angle $θ= θ_{c} \approx 1.1^\circ$, but also unconventional metallic states that are claimed to exhibit non-Fermi liquid (NFL) excitations. However, unlike superconductivity and the correlation-induced gap in the …
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 …
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…
By applying dynamical mean-field theory in combination with exact diagonalization at zero temperature to a half-filled Hubbard model with two orbitals having distinct noninteracting densities of states, we show that an orbital selective Mott transition (OSMT) will take place even without crystal field splitting, differences in bandwidth and orbital degeneracy. We find that formation of local spin triplet states followed by a two-stage breakdown of the Kondo effect, rather than decoupling of charge degrees of freedom among different orbitals, is the underlying physics for the OSMT. The relevanc…
Quantum phase transitions in metals are often accompanied by violations of Fermi liquid behavior in the quantum critical regime. Particularly fascinating are transitions beyond the Landau-Ginzburg-Wilson concept of a local order parameter. The breakdown of the Kondo effect in heavy-fermion metals constitutes a prime example of such a transition. Here, the strongly correlated f electrons become localized and disappear from the Fermi surface, implying that the transition is equivalent to an orbital-selective Mott transition, as has been discussed for multi-band transition-metal oxides. In this a…
Whether a doped hole propagates as a Bloch wave or not is an important issue of doped Mott physics. Here we examine this problem based on the quasiparticle spectral weight $Z$ distribution, calculated by density matrix renormalization group (DMRG). By tuning the anisotropy of a two-leg $t$-$J$ ladder without closing the background spin gap, the $Z$ distribution unambiguously reveals a transition of the single hole state from a Bloch wave to a novel one with spontaneous translational symmetry breaking. We further establish a direct connection of such a transition with a nonlocal phase string en…
On the basis of an analysis of the numerical results corresponding to the half-filled 1D t-t'-V model on some finite lattices, Kokalj and Prelovsek (KP) have in a recent paper [Phys. Rev. B 78, 153103 (2008), arXiv:arXiv:0803.4468] concluded that the Luttinger theorem (LT) does not apply for the Mott-Hubbard (MH) insulating phase of this model (i.e. for V >> t) in the thermodynamic limit; KP even suggested, incorrectly, that failure of the LT were apparent for a half-filled finite system consisting of N=26 lattice sites. By employing a simple model for the self-energy Sigma of a MH state, we s…
Mott-Hubbard and Hund electron correlations have been realized thus far in separate classes of materials. Here, we show that a single moiré homobilayer encompasses both kinds of physics in a controllable manner. We develop a microscopic multiband model that we solve by dynamical mean-field theory to nonperturbatively address the local many-body correlations. We demonstrate how tuning with twist angle, dielectric screening, and hole density allows us to switch between Mott-Hubbard and Hund correlated states in a twisted WSe$_2$ bilayer. The underlying mechanism is based on controlling Coulomb-i…
With a combination of numerical methods, including quantum Monte Carlo, exact diagonalization, and a simplified dynamical mean-field model, we consider the attosecond charge dynamics of electrons induced by strong-field laser pulses in two-dimensional Mott insulators. The necessity to go beyond single-particle approaches in these strongly correlated systems has made the simulation of two-dimensional extended materials challenging, and we contrast their resulting high-harmonic emission with more widely studied one-dimensional analogues. As well as considering the photo-induced breakdown of the …
The nonlinear transport properties of the Mott insulator are discussed with focus on the many-body Landau-Zener mechanism. After reviewing basic concepts such as the non-adiabatic geometric phase and the Schwinger mechanism, we study the decay of the insulating groundstate in strong electric fields using the time-dependent density matrix renormalization group. A short comment on the proposed mapping to the quantum walk model is added before discussing the relevance of the theory to experimental results. This article is a draft of a book chapter of the book entitled "Quantum and Semi-classical …
Starting with an extended version of the Anderson lattice where the f-electrons are allowed a weak dispersion, we examine the possibility of a Mott localization of the f-electrons, for a finite value of the hybridization $V$. We study the fluctuations at the quantum critical point (QCP) where the f-electrons localize. We find they are in the same universality class as for the Kondo breakdown QCP, with the following notable features. The quantum critical regime sees the appearance of an additional energy scale separating two universality classes. In the low energy regime, the fluctuations are d…
Metallic states coined strange metal (SM), with robust linear-$T$ resistivity, have been widely observed in many quantum materials under strong electron correlation, ranging from high-$T_{c}$ cuprate superconductor, organic superconductor to twisted multilayer graphene and MoTe$_{2}$/WSe$_{2}$ superlattice. Despite decades of intensive studies, the mystery of strange metal still defies any sensible theoretical explanation and has been the key puzzle in modern condensed matter physics. Here, we solve a doped Mott insulator model, which unambiguously exhibits SM phenomena accompanied with quantu…
We perform density matrix renormalization group (DMRG) calculations extensively on one dimensional Mott and Peierls chains with explicit inclusion of the static bias to study the insulator-metal transition in those systems. We find that the electric field induces a number of insulator-metal transitions for finite size systems and at the thermodynamic limit, the insulating system breaks down into a completely conducting state at a critical value of bias which depends strongly on the insulating parameters. Our results indicate that the breakdown, in both the Peierls and Mott insulators, at therm…
We examine a two-dimensional Fermi liquid with a Fermi surface which touches the Umklapp surface first at the 4 points $(\pm π/2, \pm π/2)$ as the electron density is increased. Umklapp processes at the 4 patches near $(\pm π/2, \pmπ/2)$ lead the renormalization group equations to scale to strong coupling resembling the behavior of a 2-leg ladder at half-filling. The incompressible character of the fixed point causes a breakdown of Landau theory at these patches. A further increase in density spreads the incompressible regions so that the open Fermi surface shrinks to 4 disconnected segments. …
Unusual metallic states involving breakdown of the standard Fermi-liquid picture of long-lived quasiparticles in well-defined band states emerge at low temperatures near correlation-driven Mott transitions. Prominent examples are ill-understood metallic states in $d$- and $f$-band compounds near Mott-like transitions. Finding of superconductivity in solid O$_{2}$ on the border of an insulator-metal transition at high pressures close to 96~GPa is thus truly remarkable. Neither the insulator-metal transition nor superconductivity are understood satisfactorily. Here, we undertake a first step in …
We study the half-filled Hubbard model on a one-parameter family of vortex-full square lattices ranging from the isotropic case to weakly coupled Hubbard dimers. The ground-state phase diagram consists of four phases: A semi-metal and a band insulator which are connected to the weak-coupling limit, and a magnetically ordered Néel phase and a valence bond crystal (VBC) which are linked to the strong-coupling Mott limit. The phase diagram is obained by quantum Monte Carlo (QMC) and continuous unitary transformations (CUTs). The CUT is performed in a two-step process: Non-perturbative graph-based…
In the field of interacting electron systems the Mott metal-to-insulator (MI) transition represents one of the pivotal issues. The role played by lattice degrees of freedom for the Mott MI transition and the Mott criticality in a variety of materials are current topics under debate. In this context, molecular conductors of the $κ$-(BEDT-TTF)$_2$X type constitute a class of materials for unraveling several aspects of the Mott physics. In this review, we present a synopsis of literature results with focus on recent expansivity measurements probing the Mott MI transition in this class of material…
