On the basis of the "molecular-orbital" representation which describes generic flat-band models, we propose a systematic way to construct a class of flat-band models with finite-range hoppings that have topological natures. In these models, the topological natures are encoded not into the flat band itself but into the dispersive bands touching the flat band. Such a band structure may become a source of exotic phenomena arising from the combination of flat bands, topology and correlations.
We develop a framework to describe a wide class of flat-band models, with and without a translational symmetry, by using "molecular orbitals" introduced in the prior work (HATSUGAI Y. and MARUYAMA I., \textit{EPL}, \textbf{95}, (2011) 20003). Using the molecular-orbital representation, we shed new light on the band-touching problem between flat and dispersive bands. We show that the band touching occurs as a result of collapse, or the linearly dependent nature, of molecular orbitals. Conversely, we can gap out the flat bands by modulating the molecular orbitals so that they do not collapse, wh…
We study the characteristic probability density distribution of random flat band models by machine learning. The models considered here are constructed on the basis of the molecular-orbital representation, which guarantees the existence of the macroscopically degenerate zero-energy modes even in the presence of randomness. We find that flat band states are successfully distinguished from conventional extended and localized states, indicating the characteristic feature of the flat band states. We also find that the flat band states can be detected when the target data are defined in the differe…
Theory anticipates that the in-plane px, py orbitals in a honeycomb lattice lead to new and potentially useful quantum electronic phases. So far, p orbital bands were only realized for cold atoms in optical lattices and for light and exciton-polaritons in photonic crystals. For electrons, in-plane p orbital physics is difficult to access since natural electronic honeycomb lattices, such as graphene and silicene, show strong s-p hybridization. Here, we report on electronic honeycomb lattices prepared on a Cu(111) surface in a scanning tunneling microscope that, by design, show (nearly) pure orb…
We present a systematic method of creating type-III Dirac cones from degenerate directionally flat bands. Here, the directionally flat band means a completely dispersionless band only in a certain direction. The key strategy is to retain one of the directionally flat bands while making the other dispersive, by adding a perturbation having a selected form of a Hamiltonian matrix. Such a form of a perturbation is found by using the "molecular-orbital representation" which we have developed to describe flat-band models. The models thus obtained host type-III Dirac cones even without fine-tuning h…
We discover a new wave localization mechanism in a periodic system without any disorder, which can produce a novel type of perfect flat band and is distinct from the known localization mechanisms, i.e., Anderson localization and flat band lattices. The first example we give is a designed electron waveguide on 2DEG with special periodic confinement potential. Numerical calculations show that, with proper confinement geometry, electrons can be completely localized in an open waveguide. We interpret this flat band localization phenomenon by introducing the concept of self-trapped orbitals. In our…
Results are presented for Floquet systems in two spatial dimensions where the Floquet driving breaks an effective time reversal symmetry. The driving protocol also induces flat bands that correspond to anomalous Floquet phases where the Chern number is zero and yet chiral edge modes exist. Analytic expressions for the edge modes, Berry curvature, and the orbital magnetization are derived for the flat bands. Results are also presented for the static Haldane model for parameters when the bands are flat. Floquet driving of the same model is shown to give rise to Chern insulators as well as anomal…
Twisted graphene systems have draw significant attention due to the discoveries of various correlated and topological phases. In particular, recently the alternating twisted trilayer graphene is discovered to exhibit unconventional superconductivity, which motivates us to study the electronic structures and possible interesting correlation effects of this class of alternating twisted graphene systems. In this work we consider generic alternating twisted multilayer graphene (ATMG) systems with $M$-$L$-$N$ stacking configurations, in which the $M$ ($L$) graphene layers and the $L$ ($N$) layers a…
Band engineering in twisted bilayers of the five generic two-dimensional Bravais networks is demonstrated. We first derive symmetry-based constraints on the interlayer coupling, which helps us to predict and understand the shape of the potential barrier for the electrons under the influence of the moiré structure without reference to microscopic details. It is also pointed out that the generic constraints becomes best relevant when the typical length scale of the microscopic interlayer coupling is moderate. The concepts are numerically demonstrated in simple tight-binding models to show the ba…
We calculate the interactions between the Wannier functions of the 8-orbital model for twisted bilayer graphene (TBG). In this model, two orbitals per valley centered at the AA regions, the AA-p orbitals, account for the most part of the spectral weight of the flats bands. Exchange and assisted-hopping terms between these orbitals are found to be small. Therefore, the low energy properties of TBG will be determined by the density-density interactions. These interactions decay with the distance much faster than in the two orbital model, following a 1/r law in the absence of gates. The magnitude…
The extraordinary electronic properties of Dirac materials, the two-dimensional partners of Weyl semimetals, arise from the linear crossings in their band structure. When the dispersion around the Dirac points is tilted, the emergence of intricate transport phenomena has been predicted, such as modified Klein tunnelling, intrinsic anomalous Hall effects and ferrimagnetism. However, Dirac materials are rare, particularly with tilted Dirac cones. Recently, artificial materials whose building blocks present orbital degrees of freedom have appeared as promising candidates for the engineering of ex…
Topological flat bands at the Fermi level offer a promising platform to study a variety of intriguing correlated phase of matter. Here we present band engineering in the twisted orbital-active bilayers with spin-orbit coupling. The symmetry constraints on the interlayer coupling that determines the effective potential for low-energy physics of moiré electrons are exhaustively derived for two-dimensional point groups. We find the line graph or biparticle sublattice of moiré pattern emerge with a minimal $C_3$ symmetry, which exhibit isolated electronic flat bands with nontrivial topology. The b…
In this work, we develop a systematic method of constructing flat-band models with and without band crossings. Our construction scheme utilizes the symmetry and spatial shape of a compact localized state (CLS) and also the singularity of the flat-band wave function obtained by a Fourier transform of the CLS (FT-CLS). In order to construct a flat-band model systematically using these ingredients, we first choose a CLS with a specific symmetry representation in a given lattice. Then, the singularity of FT-CLS indicates whether the resulting flat band exhibits a band crossing point or not. A tigh…
We study the boundary Majorana modes for the single component p-wave weak topological superconductors or superfluids, which form zero energy flat bands protected by time-reversal symmetry in the orbital channel. However, due to the divergence of density of states, the band flatness of the edge Majorana modes is unstable under spontaneously generated spatial variations of Cooper pairing phases. Staggered current loops appear near the boundary and thus time-reversal symmetry is spontaneously broken in the orbital channel. This effect can appear in both condensed matter and ultra-cold atom system…
Doping twisted bilayer graphene away from charge neutrality leads to an enormous buildup of charge inhomogeneities within each Moiré unit cell. Here we show, using unbiased real-space self-consistent Hartree calculations on a relaxed lattice, that Coulomb interactions smoothen this charge imbalance by changing the occupation of earlier identified `ring' orbitals in the AB/BA region and `center' orbitals at the AA region. For hole doping, this implies an increase of the energy of the states at the ${\bf Γ}$ point, leading to a further flattening of the flat bands and a pinning of the Van Hove s…
General Construction from Topological Loop States to Topological Invariants in Exactly Flat Bands
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；University of Chinese Academy of Sciences（中国科学院大学）；New Cornerstone Science Laboratory（新 cornerstone 科学实验室）
Muffin-tin methods have been instrumental in the design of honeycomb lattices that show, in contrast to graphene, separated s and in-plane p bands, a p orbital Dirac cone, and a p orbital flat band. Recently, such lattices have been experimentally realized using the 2D electron gas on Cu(111). A possible next avenue is the introduction of spin-orbit coupling to these systems. Intrinsic spin-orbit coupling is believed to open topological gaps, and create a topological flat band. Although Rashba coupling is straightforwardly incorporated in the muffin-tin approximation, intrinsic spin-orbit coup…
We present a theoretical study on the orbital magnetism in multilayer graphenes within the effective mass approximation. The Hamiltonian and thus susceptibility can be decomposed into contributions from sub-systems equivalent to monolayer or bilayer graphene. The monolayer-type subband exists only in odd layers and exhibits a delta-function susceptibility at $E_F=0$. The bilayer-type subband appearing in every layer number gives a singular structure in the vicinity of $E_F=0$ due to the trigonal warping as well as a logarithmic tail away from $E_F=0$. The integral of the susceptibility over en…
FeGe as a building block for the kagome 1:1, 1:6:6, and 1:3:5 families: hidden d-orbital decoupling of flat band sectors, effective models and interaction Hamiltonians
Superconductivity often occurs close to broken-symmetry parent states and is especially common in doped magnetic insulators. When twisted close to a magic relative orientation angle near 1 degree, bilayer graphene has flat moire superlattice minibands that have emerged as a rich and highly tunable source of strong correlation physics, notably the appearance of superconductivity close to interaction-induced insulating states. Here we report on the fabrication of bilayer graphene devices with exceptionally uniform twist angles. We show that the reduction in twist angle disorder reveals insulatin…
We study exciton-polaritons in a two-dimensional Lieb lattice of micropillars. The energy spectrum of the system features two flat bands formed from $S$ and $P_{x,y}$ photonic orbitals, into which we trigger bosonic condensation under high power excitation. The symmetry of the orbital wave functions combined with photonic spin-orbit coupling gives rise to emission patterns with pseudospin texture in the flat band condensates. Our work shows the potential of polariton lattices for emulating flat band Hamiltonians with spin-orbit coupling, orbital degrees of freedom and interactions.
Understanding the wave transport and localisation is a major goal in the study of lattices of different nature. In general, inhibiting the energy transport on a perfectly periodic and disorder-free system is challenging, however, some specific lattice geometries allow localisation due to the presence of dispersionless (flat) bands in the energy spectrum. Here, we report on the experimental realisation of a quasi-one-dimensional photonic graphene ribbon supporting four flat-bands. We study the dynamics of fundamental and dipolar modes, which are analogous to the s and p orbitals, respectively. …
In the vicinity of the magic angle in twisted bilayer graphene (TBG), the two low-energy van Hove singularities (VHSs) become exceedingly narrow1-10 and many exotic correlated states, such as superconductivity, ferromagnetism, and topological phases, are observed11-16. Heterostrain, which is almost unavoidable in the TBG, can modify its single-particle band structure and lead to novel properties of the TBG that have never been considered so far. Here, we show that heterostrain in a TBG near the magic angle generates a new zero-energy flat band between the two VHSs. Doping the TBG to partially …
We theoretically study the effect of magnetic moiré superlattice on the topological surface states by introducing a continuum model of Dirac electrons with a single Dirac cone moving in the time-reversal symmetry breaking periodic pontential. The Zeeman-type moiré potentials generically gap out the moiré surface Dirac cones and give rise to isolated flat Chern minibands with Chern number $\pm1$. This result provides a promising platform for realizing the time-reversal breaking correlated topological phases. In a $C_6$ periodic potential, when the scalar $U_0$ and Zeeman $Δ_1$ moiré potential s…
Topological crystalline insulators in IV-VI compounds host novel topological surface states consisting of multi-valley massless Dirac fermions at low energy. Here we show that strain generically acts as an effective gauge field on these Dirac fermions and creates pseudo-Landau orbitals without breaking time-reversal symmetry. We predict the realization of this phenomenon in IV-VI semiconductor heterostructures, due to a naturally occurring misfit dislocation array at the interface that produces a periodically varying strain field. Remarkably, the zero-energy Landau orbitals form a flat band in…
In order to analytically capture and identify peculiarities in the electronic structure of silicene, Weaire-Thorpe(WT) model, a standard model for treating three-dimensional (3D) silicon, is applied to silicene with the buckled 2D structure. In the original WT model for four hybridized $sp^3$ orbitals on each atom along with inter-atom hopping, the band structure can be systematically examined in 3D, where flat (dispersionless) bands exist as well. For examining silicene, here we re-formulate the WT model in terms of the overlapping molecular-orbital (MO) method which enables us to describe fl…
Flat band moiré superlattices have recently emerged as unique platforms for investigating the interplay between strong electronic correlations, nontrivial band topology, and multiple isospin 'flavor' symmetries. Twisted monolayer-bilayer graphene (tMBG) is an especially rich system owing to its low crystal symmetry and the tunability of its bandwidth and topology with an external electric field. Here, we find that orbital magnetism is abundant within the correlated phase diagram of tMBG, giving rise to the anomalous Hall effect (AHE) in correlated metallic states nearby most odd integer fillin…
Research on graphene has revealed remarkable phenomena arising in the honeycomb lattice. However, the quantum spin Hall effect predicted at the K point could not be observed in graphene and other honeycomb structures of light elements due to an insufficiently strong spin-orbit coupling. Here we show theoretically that 2D honeycomb lattices of HgTe can combine the effects of the honeycomb geometry and strong spin-orbit coupling. The conduction bands, experimentally accessible via doping, can be described by a tight-binding lattice model as in graphene, but including multi-orbital degrees of fre…
Symmetry-Based Real-Space Framework for Realizing Flat Bands and Unveiling Nodal-Line Touchings
Huazhong University of Science and Technology（华中科技大学）；Tsung-Dao Lee Institute and School of Physics and Astronomy, Shanghai Jiao Tong University（上海交大李政道理论与计算科学研究所及物理与天文学院）；Hefei National Laboratory（合肥国家实验室）；Wuhan Institute of Quantum Technology（武汉量子技术研究院）
Magnetism in solids generally originates from the localized $d$- or $f$-orbitals that are hosted by heavy transition-metal elements. Here, we demonstrate a novel mechanism for designing half-metallic $f$-orbital Dirac fermion from superlight $sp$-elements. Combining first-principles and model calculations, we show that bare and flat-band-sandwiched (FBS) Dirac bands can be created when C$_{20}$ molecules are deposited into a 2D hexagonal lattice, which are composed of $f$-molecular orbitals (MOs) derived from $sp$-atomic orbitals (AOs). Furthermore, charge doping of the FBS Dirac bands induces…
We study the properties of flat-bands that appear in a heterostructure composed of strands of different widths of graphene armchair nanoribbons. One of the flat-bands is reminiscent of the one that appears in pristine armchair nanoribbons and has its origin in a quantum mechanical destructive interference effect, dubbed `Wannier orbital states' by Lin et al. in Phys. Rev. B 79, 035405 (2009). The additional flat-bands found in these heterostructures, some reasonably closer to the Fermi level, seem to be generated by a similar interference process. After doing a thorough tight-binding analysis …
Flat bands imply lack of itinerancy due to some constraints that, in principle, results in anomalous behaviors with randomness. By a molecular orbital (MO) representation of the flat band systems, random MO models are introduced where the degeneracy due to the flat bands is preserved even with randomness. The zero modes of the chiral symmetric system with sublattice imbalance belong to the class. After explaining the generic flat band construction by MOs, several examples are discussed with numerical demonstration as sawtooth lattice in one dimension and hyper-Pyrochlore lattice in any $d$-dim…
We have studied how a generic bilayer kagome lattice behave upon layer rotation. We employed a Tight Binding model with one orbital per site and found (i) for low rotational angles, and at low energies, the same flat bands structure like in twisted bilayer graphene; though, for a larger value of the magic angle. Moreover, (ii) at high energies, due to the superstructure symmetry regions, we found the characteristics three band dispersion of the kagome lattice. In the latter, its band width decreases for lower angles confining them within a few meV. Therefore, we found in twisted kagome lattice…
Double Majorana Vortex Flat Bands in the Topological Dirac Superconductor
Hong Kong University of Science and Technology（香港科技大学）；Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；School of Physical Sciences, University of Chinese Academy of Sciences（中国科学院大学物理科学学院）；School of Physics, Beijing Institute of Technology（北京理工大学物理学院）；Nanjing University（南京大学）；CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences（中国科学院理论物理研究所）
