Perfect dc conductance of a finite width Mott insulator sandwiched between metallic leads at zero temperature: a quantum emergent phenomenon in strongly correlated multilayers
H. Zenia, J. K. Freericks, H. R. Krishnamurthy, Th. Pruschke
Using inhomogeneous dynamical mean-field theory, we argue that the normal-metal proximity effect forces any finite number of "barrier" planes that are described by the (paramagnetic) Hubbard model and sandwiched between semi-infinite metallic leads to always be a Fermi liquid at T=0. This then implies that the inhomogeneous system restores lattice periodicity at zero frequency, has a well-defined Fermi surface, and should display perfect (ballistic) conductivity or "transparency". These results are, however, fragile with respect to finite frequency, V, T, disorder, or magnetism, all of which restore the expected quantum tunneling regime through a finite-width Mott insulator. Our formal results are complemented by numerical renormalization group studies on small thickness barriers that illustrate under what circumstances this behavior might be seen in real experimental systems.
We consider a heterostructure of a metal and a barrier with onsite correlation at half filling using unrestricted Hartree Fock. We find that above a certain value of correlation strength in the barrier planes, the system is a Mott insulator, while below this value the system still behaves like a gapless insulator. The energy spectrum is found to be very novel with the presence of multiple gaps. Thus the system remains non metallic for any finite value of correlation.
The Magneli phase Ti4O7 exhibits two sharp jumps in resistivity with coupled structural transitions as a function of temperature at Tc1=142 K and Tc2=154 K. We have studied electronic structure changes across the two transitions using 7 eV laser, soft x-ray and hard x-ray (HX) photoemission spectroscopy (PES). Ti 2p-3d resonant PES and HX-PES show a clear metallic Fermi-edge and mixed valency above Tc2. The low temperature phase below Tc1 shows a clear insulating gap of 100 meV. The intermediate phase between Tc1 and Tc2 indicates a pseudogap coexisting with remnant coherent states. HX-PES and…
Dynamical mean-field theory is employed to calculate the electronic charge reconstruction of multilayered inhomogeneous devices composed of semi-infinite metallic lead layers sandwiching barrier planes of a strongly correlated material (that can be tuned through the metal-insulator Mott transition). The main focus is on barriers that are doped Mott insulators, and how the electronic charge reconstruction can create well-defined Mott insulating regions in a device whose thickness is governed by intrinsic materials properties, and hence may be able to be reproducibly made.
We examine devices constructed out of multilayered sandwiches of semi-infinite metal--barrier--semi-infinite metal, with the barrier tuned to lie near the quantum critical point of the Mott metal-insulator transition. By employing dynamical mean field theory, we are able to solve the many-body problem exactly (within the local approximation) and determine the density of states through the nanostructure and the charge transport perpendicular to the planes. We introduce a generalization of the Thouless energy that describes the crossover from tunneling to incoherent thermally activated transport…
A Metal-Disordered Mott insulator-Metal heterostructure is studied at half-fiiling using unrestricted Hartree Fock method. The corresponding clean system has been shown to be an insulator for any finite on site correlation. Interestingly we find that introduction of explicit disorder induces a metal-insulator transition at a critical value of disorder. The critical value corresponds to the point at which disorder nullifies the effect of onsite correlation. The wavefunctions are found to delocalize by increasing disorder, rendering the system metallic.
We present a theory for charge and heat transport parallel to the interfaces of a multilayer (ML) in which the interfacing gives rise the redistribution of the electronic charges. The ensuing electrical field couples self-consistently to the itinerant electrons, so that the properties of the ML crucially depend on an interplay between the on-site Coulomb forces and the long range electrostatic forces. The ML is described by the Falicov-Kimball model and the self-consistent solution is obtained by iterating simultaneously the DMFT and the Poisson equations. This yields the reconstructed charge …
Surface chiral Abelian topological order on multilayer cluster Mott insulators
University of Chinese Academy of Sciences（中国科学院大学）；Southeast University（东南大学）；Peking University（北京大学）；Collaborative Innovation Center of Quantum Matter（量子物质协同创新中心）
Electronic properties of heterostructures in which a finite number of Mott-insulator layers are sandwiched by semi-infinite metallic leads are investigated by using the dynamical-mean-field method combined with the Keldysh Green's function technique to account for the finite bias voltage between the leads. Current across the junction is computed as a function of bias voltage. Electron spectral functions in the interacting region are shown to evolve by an applied bias voltage. This effect is measurable by photoemission spectroscopy and scanning tunneling microscopy. Further predictions are made…
We use density functional theory plus dynamical mean-field theory to demonstrate the emergence of a metallic layer at the interface between the two Mott insulators LaTiO$_3$ and LaVO$_3$. The metallic layer is due to charge transfer across the interface, which alters the valence state of the transition metal cations close to the interface. Somewhat counter-intuitively, the charge is transferred from the Ti cations with formal $d^1$ electron configuration to the the V cations with formal $d^2$ configuration, thereby increasing the occupation difference of the $t_{2g}$ states. This can be unders…
We study the occurrence of negative differential conductance induced by resonance effects in a model for a multilayer heterostructure. In particular, we consider a system consisting of several correlated and non-correlated monoatomic layers, sandwiched between two metallic leads. The geometry confines electrons in wells within the heterostructures, which are connected to each other and to the leads by tunneling processes. The non-equilibrium situation is produced by applying a bias-voltage to the leads. Our results show that for specific values of the parameters resonance tunneling takes place…
Filling-control metal-insulator transition on the two-dimensional Hubbard model is investigated by using the correlator projection method, which takes into account momentum dependence of the free energy beyond the dynamical mean-field theory. The phase diagram of metals and Mott insulators is analyzed. Lifshitz transitions occur simultaneously with metal-insulator transitions at large Coulomb repulsion. On the other hand, they are separated each other for lower Coulomb repulsion, where the phase sandwiched by the Lifshitz and metal-insulator transitions appears to show violation of the Lutting…
Motivated by experiments on atomically smooth layers of LaTiO$_3$, a Mott insulator, sandwiched between layers of SrTiO$_3$, a band insulator, a simple model for such heterostructures is studied using quasi one-dimensional lattices and the Lanczos method. Taking both the local and long-range Coulomb interactions into account, and computing the layer dependent local density of states, a metallic state was found at the interface whose extent strongly depends on the dielectric constant of the material. We also observed that the antiferromagnetic correlations in the bulk Mott phase persist into th…
Recent work by Kopp and Mannhart on novel electronic systems formed at oxide interfaces has shown interesting effects on the capacitances of these devices. We employ inhomogeneous dynamical mean-field theory to calculate the capacitance of multilayered nanostructures. These multilayered nanostructures are composed of semi-infinite metallic leads coupled via a strongly correlated dielectric barrier region. The barrier region can be adjusted from a metallic regime to a Mott insulator through adjusting the interaction strength. We examine the effects of varying the barrier width, temperature, pot…
We have studied the electronic structure of multilayers composed of a band insulator LaAlO$_3$ (LAO) and a Mott insulator LaVO$_3$ (LVO) by means of hard x-ray photoemission spectroscopy, which has a probing depth as large as $\sim 60 Å$. The Mott-Hubbard gap of LVO remained open at the interface, indicating that the interface is insulating unlike the LaTiO$_3$/SrTiO$_3$ multilayers. We found that the valence of V in LVO were partially converted from V$^{3+}$ to V$^{4+}$ only at the interface on the top side of the LVO layer and that the amount of V$^{4+}$ increased with LVO layer thickness. W…
The ground-state phase diagram of the half-filled two-leg Hubbard ladder with inter-site Coulomb repulsions and exchange coupling is studied by using the strong-coupling perturbation theory and the weak-coupling bosonization method. Considered here as possible ground states of the ladder model are four types of density-wave states with different angular momentum (s-density-wave state, p-density-wave state, d-density-wave state, and f-density-wave state) and four types of quantum disordered states, i.e., Mott insulating states (S-Mott, D-Mott, S'-Mott, and D'-Mott states, where S and D stand fo…
Dynamical mean field theory is employed to calculate the properties of multilayered inhomogeneous devices composed of semi-infinite metallic lead layers coupled via barrier planes that are made from a strongly correlated material (and can be tuned through the metal-insulator Mott transition). We find that the Friedel oscillations in the metallic leads are immediately frozen in and don't change as the thickness of the barrier increases from one to eighty planes. We also identify a generalization of the Thouless energy that describes the crossover from tunneling to incoherent Ohmic transport in …
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…
Inhomogeneous dynamical mean-field theory is employed to calculate the vertex-corrected electronic charge transport for multilayered devices composed of semi-infinite metallic lead layers coupled through a strongly correlated material barrier region. The barrier region can be tuned from a metal to a Mott insulator through adjusting the interaction strength and the particle filling. We use the Falicov-Kimball model to describe the barrier region because an exact expression for the vertex corrections is known, allowing us to determine their effect on transport. The dc conductivity is calculated …
We present a theoretical study of a model heterostructure for a Mott-insulator sandwiched between two band insulators, such as SrTiO3/LaTiO3. Particular emphasis is given on the interplay between magnetism and inhomogeneous charge distributions. Our mean-field analysis of the generalized Hubbard model displays numerous ordered phases in the ground-state phase diagram. In particular, we find a canted antiferromagnetic state near the interface when antiferromagnetic-ordering exists inside the Mott insulator. A checkerboard charge-ordering proposed previously is also stabilized for large long-ran…
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 propose a mechanism for high critical temperature (T_c) in the coexistent phase of superconducting- (SC) and antiferromagnetic (AF) CuO_2 planes in multilayered cuprates. The Josephson coupling between the SC planes separated by an AF insulator (Mott insulator) is calculated perturbatively up to the fourth order in terms of the hopping integral between adjacent CuO_2 planes. It is shown that the AF exchange splitting in the AF plane suppresses the so-called pi-Josephson coupling, and the long-ranged 0-Josephson coupling leads to coexistence with a rather high value of T_c.
An exotic phase, the bond order wave, characterized by the spontaneous dimerization of the hopping, has been predicted to exist sandwiched between the band and Mott insulators in systems described by the ionic Hubbard model. Despite growing theoretical evidences, this phase still evades experimental detection. Given the recent realization of the ionic Hubbard model in ultracold atomic gases, we propose here to detect the bond order wave using superlattice modulation spectroscopy. We demonstrate, with the help of time-dependent density-matrix renormalization group and bosonization, that this sp…
We investigate the effect of spatial doping of the Mott insulator LaVO$_3$ by inserting a few layers of the correlated metal SrVO$_3$ in multilayer geometries. Using density functional theory in combination with dynamical mean-field theory, we demonstrate that this leads to a geometrically confined and robust metallic layer that stabilizes the metallicity in SrVO$_3$ even in the ultrathin layer limit, suppressing a potential dimensionality-induced metal-insulator transition. For a thicker SrVO$_3$ layer, we find a continuous transition of both structural and electronic properties across the in…
Motivated by experiments on Josephson junction arrays in a magnetic field and ultracold interacting atoms in an optical lattice in the presence of synthetic orbital magnetic fields, we study the "fully frustrated" Bose-Hubbard model and quantum XY model with half a flux quantum per lattice plaquette. Using Monte Carlo simulations and the density matrix renormalization group (DMRG) method, we show that the phase diagram of such kinetically frustrated bosons displays three phases on a two-leg ladder: a weakly interacting chiral superfluid phase with staggered loop currents which spontaneously br…
Site-polarized Mott phases competing with a correlated metal in twisted WSe$_2$
University of Hamburg（汉堡大学）；The Hamburg Centre for Ultrafast Imaging（汉堡超快成像中心）；University of Würzburg（维尔茨堡大学）；Max Planck Institute for the Structure and Dynamics of Matter（物质结构与动力学马普研究所）；RWTH Aachen University（亚琛工业大学）；Center for Computational Quantum Physics, Flatiron Institute（平顿研究所计算量子物理中心）；Tsientang Institute for Advanced Study, Zhejiang（浙江大学前沿技术研究院（紫江））；Songshan Lake Materials Laboratory（松山湖材料实验室）
We present aspects of strong electron correlation in a model of a BI/M/BI heterostructure where BI is a band insulator and M can be tuned from a metal to a Mott insulator by varying the on-site repulsion. An effective one-dimensional Schroedinger equation for the low-energy part is derived in the framework of the Kotliar-Ruckenstein slave-boson mean-field theory and solved self-consistently for a wide range of the on-site interaction strength and of the width of the sandwiched material M. In the strongly interacting limit coherent quasiparticles responsible for metallic behavior are confined t…
We theoretically investigate twisted structures where each layer is composed of a strongly correlated material. In particular, we study a twisted t-J model of cuprate multilayers within the slave-boson mean field theory. This treatment encompasses the Mott physics at small doping and self consistently generates d-wave pairing. Furthermore, including the correct inter-layer tunneling form factor consistent with the symmetry of the Cu $d_{x^2-y^2}$ orbital proves to be crucial for the phase diagram. We find spontaneous time reversal (T) breaking around twist angle of $45^\circ$, although only in…
Localisation phenomena in highly disordered metals close to the extreme conditions determined by the Mott-Ioffe-Regel (MIR) limit when the electron mean free path is approximately equal to the interatomic distance is a challenging problem. Here, to shed light on these localisation phenomena, we studied the dc transport and optical conductivity properties of nanoscaled multilayered films composed of disordered metallic Ta and magnetic FeNi nanoisland layers, where ferromagnetic FeNi nanoislands have giant magnetic moments of 10^3-10^5 Bohr magnetons (μ_B). In these multilayered structures, FeNi…
We present a novel route for attaining unconventional superconductivity (SC) in a strongly correlated system without doping. In a simple model of a correlated band insulator (BI) at half-filling we demonstrate, based on a generalization of the projected wavefunctions method, that SC emerges when e-e interactions and the bare band-gap are both much larger than the kinetic energy, provided the system has sufficient frustration against the magnetic order. As the interactions are tuned, SC appears sandwiched between the correlated BI followed by a paramagnetic metal on one side, and a ferrimagneti…
In this work, we investigate models for bulk, bi- and multilayers containing half-metallic ferromagnets (HMFs), at zero and at finite temperature, in order to elucidate the effects of strong electronic correlations on the spectral properties (density of states). Our focus is on the evolution of the finite-temperature many-body induced tails in the half-metallic gap. To this end, the dynamical mean-field theory (DMFT) is employed. For the bulk, a Bethe lattice model is solved using a matrix product states based impurity solver at zero temperature and a continuous-time quantum Monte Carlo (CT-QM…
Recent experiments have shown that the reduced multilayer rare-earth (RE) nickel oxides of form RE$_{p+1}$Ni$_p$O$_{2p+2}$ may belong to the novel family of superconducting lanthanide nickelates. Here, the correlated electronic structure of Pr$_{4}$Ni$_3$O$_{8}$ and Nd$_{6}$Ni$_5$O$_{12}$ is studied by means of an advanced realistic many-body framework. It is revealed that the low-energy physics of both systems is dominated by an interplay of Ni-$d_{x^2-y^2}$ and Ni-$d_{z^2}$ degrees of freedom. Whilst the Ni-$d_{x^2-y^2}$ orbitals are always highly correlated near an (orbital-selective) Mott-…
Real-Space Switching of Local Moments Driven by Quantum Geometry in Correlated Graphene Heterostructures
Universität Würzburg（维尔茨堡大学）；Würzburg-Dresden Cluster of Excellence ct.qmat（维尔茨堡-德累斯顿卓越集群 ct.qmat）；I. Institute of Theoretical Physics, Universität Hamburg（汉堡大学第一理论物理研究所）；The Hamburg Centre for Ultrafast Imaging（汉堡超快成像中心）；Department of Physics and Astronomy, Stony Brook University（石溪大学物理与天文学系）；Center for Computational Quantum Physics, Flatiron Institute（平顿研究所计算量子物理中心）
We study three regimes of the Mott transitions characterized by classical, marginally quantum and quantum. In the classical regime, the quantum degeneracy temperature is lower than the critical temperature of the Mott transition, Tc, below which the first-order transition occurs. The quantum regime describes the Tc=0 boundary of the continuous transition. The marginal quantum region appears sandwiched by these two regimes. The classical transition is described by the Ising universality class. However, the Ginzburg-Landau-Wilson scheme breaks down when the quantum effects dominate. The marginal…
Metallic behavior of band-insulator/ Mott-insulator interfaces was observed in artificial perovskite superlattices such as in nanoscale SrTiO3/LaTiO3 multilayers. Applying a semiclassical perspective to the parallel electronic transport we identify two major ingredients relevant for such systems: i) the quantum confinement of the conduction electrons (superlattice modulation) leads to a complex, quasi-two dimensional subband structure with both hole- and electron-like Fermi surfaces. ii) strong electron-electron interaction requires a substantial renormalization of the quasi-particle dispersio…
Microscopic mechanism of high-temperature superconductivity revealed by ab initio studies on hole-doped multilayer cuprates HgBa$_2$Ca$_2$Cu$_3$O$_8$ under pressure
Sophia University（上智大学）；The University of Tokyo（东京大学）
