We present a phenomenological theory of the low energy moiré minibands of Dirac electrons in graphene placed on an almost commensurate hexagonal underlay with a unit cell pproximately three times larger than that of graphene.A slight incommensurability results in a periodically modulated intervalley scattering for electrons in graphene. In contrast to the perfectly commensurate Kekulé distortion of graphene, such supperlattice perturbation leaves the zero energy Dirac cones intact, but is able to open a band gap at the edge of the first moiré subbband, asymmetrically in the conduction and valence bands.
We find a systematic reappearance of massive Dirac features at the edges of consecutive minibands formed at magnetic fields B_{p/q}= pϕ_0/(qS) providing rational magnetic flux through a unit cell of the moire superlattice created by a hexagonal substrate for electrons in graphene. The Dirac-type features in the minibands at B=B_{p/q} determine a hierarchy of gaps in the surrounding fractal spectrum, and show that these minibands have topological insulator properties. Using the additional $q$-fold degeneracy of magnetic minibands at B_{p/q}, we trace the hierarchy of the gaps to their manifesta…
We identify features in the angle-resolved photoemission spectra (ARPES) arising from the periodic pattern characteristic for graphene heterostructure with hexagonal boron nitride (hBN). For this, we model ARPES spectra and intensity maps for five microscopic models used previously to describe moire superlattice in graphene/hBN systems. We show that detailed analysis of these features can be used to pin down the microscopic mechanism of the interaction between graphene and hBN. We also analyze how the presence of a moire-periodic strain in graphene or scattering of photoemitted electrons off h…
We investigate theoretically the interplay between the effects of a perpendicular electric field and incommensurability at the interface on the electronic properties of a heterostructure of bilayer graphene and a semiconducting substrate with a unit cell almost three times larger then that of graphene. It is known that the former introduces an asymmetry in the distribution of the electronic wave function between the layers and opens a band gap in the electronic spectrum. The latter generates a long wavelength periodic moiré perturbation of graphene electrons which couples states in inequivalen…
We investigate the optical properties of interlayer excitons in heterobilayer transition metal dichalcogenides where moiré pattern is introduced by heterostrain, in comparison with that introduced by twisting (and/or lattice mismatch). Besides being a cause of the moiré texture, strain also effectively introduces a constant gauge potential on either electron or hole, which shifts the dispersion of kinetic energy with respect to the excitonic crystal momenta in the moiré superlattices.This leads to distinct exciton mini-band dispersions and light coupling properties from the twisting induced mo…
Geometrical moiré patterns, generic for almost aligned bilayers of two-dimensional (2D) crystals with similar lattice structure but slightly different lattice constants, lead to zone folding and miniband formation for electronic states. Here, we show that moiré superlattice (mSL) effects in $\mathrm{MoSe}_2/\mathrm{WS}_2$ and $\mathrm{MoTe}_2/\mathrm{MoSe}_2$ heterobilayers that feature alignment of the band edges are enhanced by resonant interlayer hybridization, and anticipate similar features in twisted homobilayers of TMDs, including examples of narrow minibands close to the actual band ed…
Van der Waals heterostructures of graphene and hexagonal boron nitride feature a moiré superlattice for graphene's Dirac electrons. Here, we review the effects generated by this superlattice, including a specific miniband structure featuring gaps and secondary Dirac points, and a fractal spectrum of magnetic minibands known as Hofstadter's butterfly.
We demonstrate a generic mechanism to realize topological flat minibands by confining massive Dirac fermions in a periodic moiré potential, which can be achieved in a heterobilayer of transition metal dichalcogenides. We show that the topological phase can be protected by the symmetry of moiré potential and survive to arbitrarily large Dirac band gap. We take the MoTe$_2$/WSe$_2$ heterobilayer as an example and find that the topological phase can be driven by a vertical electric field. By projecting the Coulomb interaction onto the topological fat minibands, we identify a correlated Chern insu…
The propagation of Dirac fermions in graphene through a long-period periodic potential would result in a band folding together with the emergence of a series of cloned Dirac points (DPs). In highly aligned graphene/hexagonal boron nitride (G/hBN) heterostructures, the lattice mismatch between the two atomic crystals generates a unique kind of periodic structure known as a moiré superlattice. Of particular interests is the emergent phenomena related to the reconstructed band-structure of graphene, such as the Hofstadter butterfly, topological currents, gate dependent pseudospin mixing, and ball…
Bilayer graphene was theorized to host a moire miniband with flat dispersion if the layers are stacked at specific twist angles known as the magic angles. Recently, such twisted bilayer graphene (tBLG) with the first magic angle twist was reported to exhibit correlated insulating state and superconductivity, where the presence of the flat miniband in the system is thought to be essential for the emergence of these ordered phases in the transport measurements. Tunneling spectroscopy and electronic compressibility measurements in tBLG have revealed a van Hove singularity that is consistent with …
$\mathbb Z_2$-Nontrivial Moiré Minibands and Interaction-Driven Quantum Anomalous Hall Insulators in Topological Insulator Based Moiré Heterostructures
Rational design of artificial lattices yields effects unavailable in simple solids, and vertical superlattices of multilayer semiconductors are already used in optical sensors and emitters. Manufacturing lateral superlattices remains a much bigger challenge, with new opportunities offered by the use of moire patterns in van der Waals heterostructures of graphene and hexagonal crystals such as boron nitride (h-BN). Experiments to date have elucidated the novel electronic structure of highly aligned graphene/h-BN heterostructures, where miniband edges and saddle points in the electronic dispersi…
Using a general symmetry-based approach, we provide a classification of generic miniband structures for electrons in graphene placed on substrates with the hexagonal Bravais symmetry. In particular, we identify conditions at which the first moiré miniband is separated from the rest of the spectrum by either one or a group of three isolated mini Dirac points and is not obscured by dispersion surfaces coming from other minibands. In such cases the Hall coefficient exhibits two distinct alternations of its sign as a function of charge carrier density.
Interference of double moire patterns of graphene (G) encapsulated by hexagonal boron nitride (BN) can alter the electronic structure features near the primary/secondary Dirac points and the electron-hole symmetry introduced by a single G/BN moire pattern depending on the relative stacking arrangements of the top/bottom BN layers. We show that strong interference effects are found in nearly aligned BN/G/BN and BN/G/NB and obtain the evolution of the associated density of states as a function of moire superlattice twist angles. For equal moire periods and commensurate patterns with $Δϕ= 0^{\cir…
Moiré superlattices open an unprecedented opportunity for tailoring interactions between quantum particles and their coupling to electromagnetic fields. Strong superlattice potential generates moiré minibands of excitons -- bound pairs of electrons and holes that reside either in a single layer (intralayer excitons) or two separate layers (interlayer excitons). The twist-angle-controlled interlayer hybridization of carriers can also mix the two types of excitons to combine the strengths of both. Here, we report a direct observation of spatially mixed moiré excitons in angle-aligned WSe2/WS2 an…
Twistronic heterostructures have recently emerged as a new class of quantum electronic materials with properties determined by the twist angle between the adjacent two-dimensional materials. Here we study moiré superlattice minibands in graphene (G) encapsulated in hexagonal boron nitride (hBN) with an almost perfect alignment with both the top and bottom hBN crystals. We show that, for such an orientation of the unit cells of the hBN layers that locally breaks inversion symmetry of the graphene lattice, the hBN/G/hBN structure features a Kagomé network of topologically protected chiral states…
We study the superlattice minibands produced by the interplay between moiré pattern induced by hexagonal BN substrate on graphene layer and the interlayer coupling in bilayer graphene with Bernal stacking (BLG). We compare moiré miniband features in BLG, where they are affected by the interlayer asymmetry of BLG-hBN heterostructure and trigonal warping characteristic for electrons in Bernal-stacked bilayers with those found in monolayer graphene.
Spontaneous orbital magnetism observed in twisted bilayer graphene (tBG) on nearly aligned hexagonal boron nitride (BN) substrate builds on top of the electronic structure resulting from combined G/G and G/BN double moire interfaces. Here we show that tBG/BN commensurate double moire patterns can be classified into two types, each favoring the narrowing of either the conduction or valence bands on average, and obtain the evolution of the bands as a function of the interlayer sliding vectors and electric fields. Finite valley Chern numbers $\pm 1$ are found in a wide range of parameter space wh…
We study untwisted heterobilayers of ferromagnetic and antiferromagnetic van der Waals materials, with in particular a Dzyaloshinskii-Moriya interaction in the ferromagnetic layer. A continuum low energy field theory is utilized to study such systems. We develop a phase diagram as a function of the strength of inter-layer exchange and Dzyaloshinskii-Moriya interactions, combining perturbative and strong coupling analyses with numerical simulations using Landau-Lifshitz-Gilbert equations. Various moiré-periodic commensurate phases are found, and the commensurate-incommensurate transition is dis…
A Catalogue of Topological Moiré Bands in Twisted Semiconductors
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与凝聚态物理北京国家实验室）；University of Chinese Academy of Sciences（中国科学院大学）；Condensed Matter Physics Data Center of Chinese Academy of Sciences（中国科学院凝聚态物理数据中心）
Bandwidth-Limited Critical Currents in Electrically Tunable Moiré Bands
ICFO - Institut de Ciències Fotòniques, The Barcelona Institute of Science and Technology（光子科学研究所，巴塞罗那科学技术研究院）；Massachusetts Institute of Technology（麻省理工学院）；National Graphene Institute, University of Manchester（国家石墨烯研究所，曼彻斯特大学）；Dept. of Physics & Astronomy, University of Manchester（物理与天文学系，曼彻斯特大学）；COMMIT, Department of Physics and NANOlight Center of Excellence, University of Antwerp（安特卫普大学物理系及NANOlight卓越中心）
Twisted graphene multi-layers have been recently demonstrated to share several correlation-driven behaviours with twisted bilayer graphene. In general, the van Hove singularities (VHSs) can be used as a proxy of the tendency for correlated behaviours. In this paper, we adopt an atomistic method by combining tight-binding method with the semi-classical molecular dynamics to investigate the electronic structures of twisted trilayer graphene (TTG) with two independent twist angles. The two independent twist angles can lead to the interference of the moiré patterns forming a variety of commensurat…
Studies on two-dimensional electron systems in a strong magnetic field first revealed the quantum Hall (QH) effect, a topological state of matter featuring a finite Chern number (C) and chiral edge states. Haldane later theorized that Chern insulators with integer QH effects could appear in lattice models with complex hopping parameters even at zero magnetic field. The ABC-trilayer graphene/hexagonal boron nitride (TLG/hBN) moiré superlattice provides an attractive platform to explore Chern insulators because it features nearly flat moiré minibands with a valley-dependent electrically tunable …
Beyond the Flat-Band Paradigm: Open Orbits as a Route to Correlated States in Dispersive Moiré Minibands
National University of Singapore（新加坡国立大学）；Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and BIST（加泰罗尼亚纳米科学和纳米技术研究所（ICN2，CSIC和BIST））；ICREA–Institució Catalana de Recerca i Estudis Avançats（加泰罗尼亚高级研究学院（ICREA））；Institute of Materials Research & Engineering (IMRE), Agency for Science, Technology and Research (A*STAR)（材料研究与工程学院（IMRE），科学技术研究局（A*STAR））；Centre for Quantum Technologies, National University of Singapore（新加坡国立大学量子技术中心）；University of Manchester（曼彻斯特大学）；Department of Physics, National University of Singapore（新加坡国立大学物理系）
Moiré superlattices of van der Waals materials, such as twisted graphene and transitional metal dichalcogenides, have recently emerged as a fascinating platform to study strongly correlated states in two dimensions, thanks to the strong electron interaction in the moiré minibands. In most systems, the correlated states appear when the moiré lattice is filled by integer number of electrons per moiré unit cell. Recently, correlated states at fractional fillings of 1/3 and 2/3 holes per moiré unit cell has been reported in the WS2/WSe2 heterobilayer, hinting the long range nature of the electron …
Ultra-small-angle graphene twistronics with monolayer spacers: From interlayer hybridisation and moiré effects to high-temperature magnetotransport oscillations
University of Manchester（曼彻斯特大学）；National Graphene Institute, University of Manchester（国家石墨烯研究所，曼彻斯特大学）；City University of Hong Kong（香港城市大学）；National University of Singapore（新加坡国立大学）；Institute for Functional Intelligent Materials, National University of Singapore（功能智能材料研究所，新加坡国立大学）
We investigate the magnetic minibands of a heterostructure consisting of bilayer graphene (BLG) and hexagonal boron nitride (hBN) by numerically diagonalizing a two-band Hamiltonian that describes electrons in BLG in the presence of a moire potential. Due to inversion-symmetry breaking characteristic for the moire potential, the valley symmetry of the spectrum is broken, but despite this, the zero-energy Landau level in BLG survives, albeit with reduced degeneracy. In addition, we derive effective models for the low-energy features in the magnetic minibands and demonstrate the appearance of se…
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…
The quantum anomalous Hall (QAH) effect is sometimes observed in twisted bilayer graphene (tBG) when it is nearly aligned with an encapsulating hexagonal boron nitride (hBN) layer. We propose that the appearance or absence of the QAH effect in individual devices could be related to commensurability between the graphene/graphene and graphene/hBN moiré patterns. We identify a series of points in the $(θ_{\rm GG},θ_{\rm GBN})$ twist-angle space at which the two moiré patterns are commensurate, allowing moiré band theory to be applied, and show that the band Chern numbers are in this case sensitiv…
Moiré superlattices provide a powerful tool to engineer novel quantum phenomena in two-dimensional (2D) heterostructures, where the interactions between the atomically thin layers qualitatively change the electronic band structure of the superlattice. For example, mini-Dirac points, tunable Mott insulator states, and the Hofstadter butterfly can emerge in different types of graphene/boron nitride moiré superlattices, while correlated insulating states and superconductivity have been reported in twisted bilayer graphene moiré superlattices. In addition to their dramatic effects on the single pa…
Robust structural superlubricity of twisted graphene bilayer and domain walls between commensurate moiré pattern domains from first-principles calculations
The Bistritzer-MacDonald continuum model (BM model) describes the low-energy moiré bands for twisted bilayer graphene (TBG) at small twist angles. We derive a generalized continuum model for TBG near any commensurate twist angle, which is characterized by complex interlayer hoppings at commensurate $AA$ stackings (rather than the real hoppings in the BM model), a real interlayer hopping at commensurate $AB/BA$ stackings, and a global energy shift. The complex phases of the $AA$ stacking hoppings and the twist angle together define a single angle parameter $ϕ_0$. We compute the model parameters…
Due to atomically thin structure, graphene/hexagonal boron nitride (G/hBN) heterostructures are intensively sensitive to the external mechanical forces and deformations being applied to their lattice structure. In particular, strain can lead to the modification of the electronic properties of G/hBN. Furthermore, moiré structures driven by misalignment of graphene and hBN layers introduce new features to the electronic behavior of G/hBN. Utilizing {\it ab initio} calculation, we study the strain-induced modification of the electronic properties of diverse stacking faults of G/hBN when applying …
In stacks of two-dimensional crystals, mismatch of their lattice constants and misalignment of crystallographic axes lead to formation of moiré patterns. We show that moiré superlattice effects persist in twisted bilayer graphene (tBLG) with large twists and short moiré periods. Using angle-resolved photoemission, we observe dramatic changes in valence band topology across large regions of the Brillouin zone, including the vicinity of the saddle point at $M$ and across 3 eV from the Dirac points. In this energy range, we resolve several moiré minibands and detect signatures of secondary Dirac …
High-field Josephson effect enabled by a moiré Hofstadter spectrum
Ludwig-Maximilians-Universität（路德维希-马克西米利安大学）；Munich Center for Quantum Science and Technology (MCQST)（慕尼黑量子科学与技术中心）；Nanomaterials and Nanotechnology Research Center (CINN-CSIC), Universidad de Oviedo (UO)（阿斯图里亚斯大学纳米材料与纳米技术研究中心（CINN-CSIC））；Yale University（耶鲁大学）；Aalto University（阿尔托大学）；National Institute for Materials Science（国立材料研究所）
The valence band maxima of most group-VI transition metal dichalcogenide thin films remain at the $Γ$-point all the way from bulk to bilayer. In this paper we develop a continuum theory of the moirè minibands that are formed in the valence bands of $Γ$-valley homobilayers by a small relative twist. Our effective theory is benchmarked against large-scale ab initio electronic structure calculations that account for lattice relaxation. As a consequence of an emergent $D_6$ symmetry we find that low-energy $Γ$-valley moirè holes differ qualitatively from their K-valley counterparts addressed previ…
By atomistic modeling of moir{é} patterns of graphene on a substrate with a small lattice mismatch, we find qualitatively different strain distributions for small and large misorientation angles, corresponding to the commensurate-incommensurate transition recently observed in graphene on hexagonal BN. We find that the ratio of C-N and C-B interactions is the main parameter determining the different bond lengths in the center and edges of the moir{é} pattern. Agreement with experimental data is obtained only by assuming that the C-B interactions are at least twice weaker than the C-N interactio…
We model optical absorption of monolayer and bilayer graphene on hexagonal boron nitride for the case of closely-aligned crystal lattices. We show that perturbations with different spatial symmetry can lead to similar absorption spectra. We suggest that a study of the absorption spectra as a function of the doping for almost completely full first miniband is necessary to extract meaningful information about the moire characteristics from optical absorption measurements and to distinguish between various theoretical proposals for the physically realistic interaction. Also, for bilayer graphene,…
