The dynamical-mean-field method is applied to investigate the transport properties of heterostructures consisting of a strongly-correlated electron system connected to metallic leads. The spectral function inside the correlated region is sensitive to the change of the interaction strength and bias voltage. Because of this sensitivity, current vs voltage characteristics of such heterostructures are rather nonlinear regardless of the detail of the potential profile inside the correlated region. The electronic properties such as the double occupancy are also changed by the bias voltage.
We present an embedding approach based on localized basis functions which permits an efficient application of the dynamical mean field theory (DMFT) to inhomogeneous correlated materials, such as semi-infinite surfaces and heterostructures. In this scheme, the semi-infinite substrate leads connected to both sides of the central region of interest are represented via complex, energy-dependent embedding potentials that incorporate one-electron as well as many-body effects within the substrates. As a result, the number of layers which must be treated explicitly in the layer-coupled DMFT equation …
At the interface between two distinct materials desirable properties, such as superconductivity, can be greatly enhanced, or entirely new functionalities may emerge. Similar to in artificially engineered heterostructures, clean functional interfaces alternatively exist in electronically textured bulk materials. Electronic textures emerge spontaneously due to competing atomic-scale interactions, the control of which, would enable a top-down approach for designing tunable intrinsic heterostructures. This is particularly attractive for correlated electron materials, where spontaneous heterostruct…
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…
An interface modification of LCMO-BTO superlattices was found to massively influence magnetic and magnetotransport properties. Moreover it determines the crystal structure of the manganite layers, changing it from orthorhombic (Pnma) for the conventional superlattice (cSL), to rhombohedral (R-3c) for the modified one (mSL). While the cSL shows extremely nonlinear ac transport, the mSL is an electrically homogeneous material. The observations go beyond an oversimplified picture of dead interface layers and evidence the importance of electronic correlations at perovskite interfaces.
Electronic phase behavior in correlated-electron systems is a fundamental problem of condensed matter physics. We argue here that the change in the phase behavior near the surface and interface, i.e., {\em electronic reconstruction}, is the fundamental issue of the correlated-electron surface or interface science. Beyond its importance to basic science, understanding of this behavior is crucial for potential devices exploiting the novel properties of the correlated systems. % We present a general overview of the field, and then illustrate the general concepts by theoretical studies of the mode…
The cyclotron resonance absorption of two-dimensional electrons in semiconductor heterostructures in high magnetic fields is investigated. It is assumed that the ionized impurity potential is a dominant scattering mechanism, and the theory explicitly takes the Coulomb correlation effect into account through the Wigner phonons. The cyclotron resonance linewidth is in quantitative agreement with the experiment in the Wigner crystal regime at T=4.2K. Similar to the cyclotron resonance theory of the charge density waves pinned by short-range impurities, the present results for the long-range scatt…
Symmetry is one of the most significant concepts in physics, and its importance has been largely manifested in phase transitions by its spontaneous breaking. In strongly correlated systems, however, mysterious and enigmatic phase transitions, inapplicable of the symmetry description, have been discovered and often dubbed hidden order transitions, as found in, $\it{e.g.}$, high-$T_C$ cuprates, heavy fermion superconductors, and quantum spin liquid candidates. Here, we report a new type of hidden order transition in a correlated heterostructure Sr$_2$VO$_3$FeAs, whose origin is attributed to an …
We investigate by means of the time-dependent Gutzwiller approximation the transport properties of a strongly-correlated slab subject to Hubbard repulsion and connected with to two metallic leads kept at a different electrochemical potential. We focus on the real-time evolution of the electronic properties after the slab is connected to the leads and consider both metallic and Mott insulating slabs. When the correlated slab is metallic, the system relaxes to a steady-state that sustains a finite current. The zero-bias conductance is finite and independent of the degree of correlations within t…
Non-Majorana-origin of the half-integer conductance quantization elucidated by multi-terminal superconductor-quantum anomalous Hall insulator heterostructure
We highlight recent advances in the theory, materials fabrication, and experimental characterization of strongly correlated and topological states in [111] oriented transition metal oxide thin films and heterostructures, which are notoriously difficult to realize compared to their [001] oriented counterparts. We focus on two classes of complex oxides, with the chemical formula ABO3 and A2B2O7, where the B sites are occupied by an open-shell transition metal ion with a local moment, and the A sites are typically a rare earth. The [111] oriented quasi-two-dimensional lattices derived from these …
Delafossites represent natural heterostructures which can host rather different electronic characteristics in their constituting layers. The design of novel heterostructure architectures highlighting the competition between such varying layer properties is promising from the viewpoint of basic research as well as for future technological applications. By means of the combination of density functional theory and dynamical mean-field theory, we here unveil the formation of highly correlated electron states in delafossite heterostructures build from metallic PdCrO$_2$ and insulating AgCrO$_2$. Du…
For heterostructures of ultrathin, strongly correlated copper-oxide films and dielectric perovskite layers, we predict inhomogeneous electronic interface states. Our study is based on an extended Hubbard model for the cuprate film. The interface is implemented by a coupling to the electron and phonon degrees of freedom of the dielectric oxide layer. We find that electronic ordering in the film is associated with a strongly inhomogeneous polaron effect. We propose to consider the interfacial tuning as a powerful mechanism to control the charge ordering in correlated electronic systems.
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…
We develop a microscopic theory for plasmon excitations of graphene/$α$-RuCl${_3}$ heterostructures. Within a Kondo-Kitaev model with various interactions, a heavy Fermi liquid hosting flat bands emerges in which the itinerant electrons of graphene effectively hybridize with the fractionalized fermions of the Kitaev quantum spin liquid. We find novel correlated plasmon bands induced by the interplay of flat bands and interactions and argue that our theory is consistent with the available experimental data on graphene/$α$-RuCl${_3}$ heterostructures. We predict novel plasmon branches beyond the…
In this manuscript, recent theoretical investigations by the authors in the area of oxide multilayers are briefly reviewed. The calculations were carried out using model Hamiltonians and a variety of non-perturbative techniques. Moreover, new results are also included here. They correspond to the generation of a metallic state by mixing insulators in a multilayer geometry, using the Hubbard and Double Exchange models. For the latter, the resulting metallic state is also ferromagnetic. This illustrates how electron or hole doping via transfer of charge in multilayers can lead to the study of ph…
Correlated oxide heterostructures pose a challenging problem in condensed matter research due to their structural complexity interweaved with demanding electron states beyond the effective single-particle picture. By exploring the correlated electronic structure of SmTiO$_3$ doped with few layers of SrO, we provide an insight into the complexity of such systems. Furthermore, it is shown how the advanced combination of band theory on the level of Kohn-Sham density functional theory with explicit many-body theory on the level of dynamical mean-field theory provides an adequate tool to cope with …
We examine the ballistic conduction through Au-NiMnSb-Au heterostructures consisting of up to four units of NiMnSb in the scattering region. We investigate the dependence of the transmission function computed within the local spin density approximation (LSDA) of the density functional theory (DFT) on the number of half-metallic units in the scattering region. For a single NiMnSb unit the transmission function displays a spin polarization of around 50 % in a window of 1 eV centered around the Fermi level. By increasing the number of layers an almost complete spin polarization of the transmissio…
We consider dressing of excitonic properties by strongly correlated electrons in gate controlled twisted homo-bilayer heterostructures. The combined effect of the moiré potential and the Coulomb interaction supports the formation of different strongly correlated phases depending on the filling, including charge-ordered metals or incompressible insulators at integer occupation. The coupling between excitons and electrons results in a splitting of the excitonic resonance into an attractive and a repulsive polaron peak. Analyzing the properties of the exciton-polarons across the different phases …
Anderson Lattice in Incommensurate $\bf{Nb_3Cl_8}$/Graphene van der Waals Heterostructures
Peking University（北京大学）；University of Chinese Academy of Sciences（中国科学院大学）；Songshan Lake Materials Laboratory（松山湖材料实验室）；National Institute for Materials Science（国立研究开发法人物质·材料研究机构）
Continuous correlated states and dual-flatness in a moiré heterostructure
John A. Paulson School of Engineering and Applied Sciences, Harvard University（哈佛大学约翰·A·保尔森工程与应用科学学院）；Department of Physics and Astronomy, University of Manchester（曼彻斯特大学物理与天文学系）；National Graphene Institute, University of Manchester（曼彻斯特大学国家石墨烯研究所）；The Institute for Functional Intelligent Materials, National University of Singapore（新加坡国立大学功能智能材料研究所）；Research Center for Electronic and Optical Materials, National Institute for Materials Science（日本物质材料研究机构电子与光学材料研究中心）；Research Center for Materials Nanoarchitectonics, National Institute for Materials Science（日本物质材料研究机构材料纳米结构研究中心）；Henry Royce Institute for Advanced Materials（亨利·罗伊斯先进材料研究所）；Department of Physics, Washington University in St. Louis（华盛顿大学圣路易斯分校物理系）；Department of Materials Science and Engineering, National University of Singapore（新加坡国立大学材料科学与工程系）；Department of Physics, Sogang University（西江大学物理系）
An electrostatic field, which is applied to a gated high-temperature superconducting (HTSC) film, is believed to affect the film similar to charge doping. Analyzing the pairing in terms of a t-J model, we show that a coupling to electric dipoles and phonons at the interface of film and dielectric gate localizes the injected charge and leads to a superconductor-insulator transition. This results in a dramatic modification of the doping dependent phase diagram close to and above the optimal doping which is expected to shed light on recent electric field-effect experiments with HTSC cuprates.
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.
Using a van der Waals vertical heterostructure consisting of monolayer graphene, monolayer hBN and NbSe$_2$, we have performed local characterization of induced correlated states in different configurations. At a temperature of 4.6 K, we have shown that both superconductivity and charge density waves can be induced in graphene from NbSe2 by proximity effects. By applying a vertical magnetic field, we imaged the Abrikosov vortex lattice and extracted the coherence length for the proximitized superconducting graphene. We further show that the induced correlated states can be completely blocked b…
Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic Fe$_2$O$_3$-FeTiO$_3$ solid solutions and heterostructures. While the charge compensation mechanism through formation of a mixed \fetw, \feth-contact layer is unaffected, strain can be used to tune the electronic properties of the system, e.g. by changing the position of impurity levels in the band gap. Straining hematite/ilmenite films at the lateral parameters of Al$_{2}$O$_{3}$(0001), commonly used as a substrate…
Two dimensional materials and their heterostructures constitute a promising platform to study correlated electronic states as well as many body physics of excitons. Here, we present experiments that unite these hitherto separate efforts and show how excitons that are dynamically screened by itinerant electrons to form exciton-polarons, can be used as a spectroscopic tool to study interaction-induced incompressible states of electrons. The MoSe$_2$/hBN/MoSe$_2$ heterostructure that we study exhibits a long-period Moiré superlattice as evidenced by coherent-hole tunneling mediated avoided crossi…
Using interlayer interaction to control functional heterostructures with atomic-scale designs has become one of the most effective interface-engineering strategies nowadays. Here, we demonstrate the effect of a crystalline LaFeO3 buffer layer on amorphous and crystalline LaAlO3/SrTiO3 heterostructures. The LaFeO3 buffer layer acts as an energetically favored electron acceptor in both LaAlO3/SrTiO3 systems, resulting in modulation of interfacial carrier density and hence metal-to-insulator transition. For amorphous and crystalline LaAlO3/SrTiO3 heterostructures, the metal-to-insulator transitio…
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…
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 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 …
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）
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…
The possibility of investigating the dynamics of solids on timescales faster than the thermalization of the internal degrees of freedom has disclosed novel non-equilibrium phenomena that have no counterpart at equilibrium. Transition metal oxides (TMOs) provide an interesting playground in which the correlations among the charges in the metal $d$-orbitals give rise to a wealth of intriguing electronic and thermodynamic properties involving the spin, charge, lattice and orbital orders. Furthermore, the physical properties of TMOs can be engineered at the atomic level, thus providing the platfor…
Purely electronic model for exciton-polaron formation in moiré heterostructures
Technical University of Munich（慕尼黑工业大学）；Munich Center for Quantum Science and Technology (MCQST)（慕尼黑量子科学与技术中心）；Joint Quantum Institute, University of Maryland（马里兰大学联合量子研究所）
Twisting moiré heterostructures to the flatband regime allows for the formation of strongly correlated quantum states, since the dramatic reduction of the bandwidth can cause the residual electronic interactions to set the principal energy scale. An effective description for such correlated moiré heterostructures, derived in the strong-coupling limit at integer filling, generically leads to spin-valley Heisenberg models. Here we explore the emergence and stability of spin liquid behavior in an SU(2)$^{\mathrm{spin}}\otimes$SU(2)$^{\mathrm{valley}}$ Heisenberg model upon inclusion of Hund's-ind…
Van der Waals (vdW) heterostructures are an emergent class of metamaterials comprised of vertically stacked two-dimensional (2D) building blocks, which provide us with a vast tool set to engineer their properties on top of the already rich tunability of 2D materials. One of the knobs, the twist angle between different layers, plays a crucial role in the ultimate electronic properties of a vdW heterostructure and does not have a direct analog in other systems such as MBE-grown semiconductor heterostructures. For small twist angles, the moiré pattern produced by the lattice misorientation create…
A variety of correlated phases have recently emerged in select twisted van der Waals (vdW) heterostructures owing to their flat electronic dispersions. In particular, heterostructures of twisted double bilayer graphene (tDBG) manifest electric field-tunable correlated insulating (CI) states at all quarter fillings of the conduction band, accompanied by nearby states featuring signatures suggestive of superconductivity. Here, we report electrical transport measurements of tDBG in which we elucidate the fundamental role of spontaneous symmetry breaking within its correlated phase diagram. We obs…
We report on a systematic study of a number of structurally identical but chemically distinct transition metal oxides in order to determine how the material-specific properties such as the composition and the strain affect the properties at the interface of heterostructures. Our study considers a series of structures containing two layers of ferromagnetic SrRuO3, with antiferromagnetic insulating manganites sandwiched in between. The results demonstrate how to control the strength and relative orientation of interfacial ferromagnetism in correlated electron materials by means of valence state …
We have used resonant x-ray diffraction to develop a detailed description of antiferromagnetic ordering in epitaxial superlattices based on two-unit-cell thick layers of the strongly correlated metal LaNiO3. We also report reference experiments on thin films of PrNiO3 and NdNiO3. The resulting data indicate a spiral state whose polarization plane can be controlled by adjusting the Ni d-orbital occupation via two independent mechanisms: epitaxial strain and quantum confinement of the valence electrons. The data are discussed in the light of recent theoretical predictions.
Ferroelectric field-effect doping has emerged as a powerful approach to manipulate the ground state of correlated oxides, opening the door to a new class of field-effect devices. However, this potential is not fully exploited so far, since the size of the field-effect doping is generally much smaller than expected. Here we study the limiting factors through magneto-transport, scanning transmission electron and piezo-response force microscopy in ferroelectric/superconductor (YBa2Cu3O7-δ /BiFeO3) heterostructures, a model system showing very strong field-effects. Still, we find that they are lim…
A microscopic model Hamiltonian for the ferroelectric field effect is introduced for the study of oxide heterostructures with ferroelectric components. The long-range Coulomb interaction is incorporated as an electrostatic potential, solved self-consistently together with the charge distribution. A generic double-exchange system is used as the conducting channel, epitaxially attached to the ferroelectric gate. The observed ferroelectric screening effect, namely the charge accumulation/depletion near the interface, is shown to drive interfacial phase transitions that give rise to robust magneto…
Twisted van der Waals heterostructures with flat electronic bands have recently emerged as a platform for realizing correlated and topological states with an extraordinary degree of control and tunability. In graphene-based moiré heterostructures, the correlated phase diagram and band topology depend strongly on the number of graphene layers, their relative stacking arrangement, and details of the external environment from the encapsulating crystals. Here, we report that the system of twisted monolayer-bilayer graphene (tMBG) hosts a variety of correlated metallic and insulating states, as wel…
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…
The natural-heterostructure concept realized in delafossites highlights these layered oxides. While metallic, band- or Mott-insulating character may be associated with individual layers, inter-layer coupling still plays a decisive role. We review the correlated electronic structure of PdCoO$_2$, PdCrO$_2$ and AgCrO$_2$, showing that layer-entangled electronic states can deviate from standard classifications of interacting systems. This finding opens up possibilities for materials design in a subtle Mott-critical regime. Manipulated Hidden-Mott physics, correlation-induced semimetallicity, or D…
We report the experimental realization of a correlated insulating phase in 2D GaAs/AlGaAs heterostructures at low electron densities in a limited window of background disorder. This has been achieved at mesoscopic length scales, where the insulating phase is characterized by a universal hopping transport mechanism. Transport in this regime is determined only by the average electron separation, independent of the topology of background disorder. We have discussed this observation in terms of a pinned electron solid ground state, stabilized by mutual interplay of disorder and Coulomb interaction…
