Catalogue of flat-band stoichiometric materials.

Topological electronic flattened bands near or at the Fermi level are a promising route towards unconventional superconductivity and correlated insulating states. However, the related experiments are mostly limited to engineered materials, such as moiré systems1-3. Here we present a catalogue of the naturally occuring three-dimensional stoichiometric materials with flat bands around the Fermi level. We consider 55,206 materials from the Inorganic Crystal Structure Database catalogued using the Topological Quantum Chemistry website4,5, which provides their structural parameters, space group, band structure, density of states and topological characterization. We combine several direct signatures and properties of band flatness with a high-throughput analysis of all crystal structures. In particular, we identify materials hosting line-graph or bipartite sublattices-in either two or three dimensions-that probably lead to flat bands. From this trove of information, we create the Materials Flatband Database website, a powerful search engine for future theoretical and experimental studies. We use the database to extract a curated list of 2,379 high-quality flat-band materials, from which we identify 345 promising candidates that potentially host flat bands with charge centres that are not strongly localized on the atomic sites. We showcase five representative materials and provide a theoretical explanation for the origin of their flat bands close to the Fermi energy using the S-matrix method introduced in a parallel work6.

High-throughput calculations of magnetic topological materials.

The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators1-3, have directed fundamental research in solid-state materials. Topological quantum chemistry4 has enabled the understanding of and the search for paramagnetic topological materials5,6. Using magnetic topological indices obtained from magnetic topological quantum chemistry (MTQC)7, here we perform a high-throughput search for magnetic topological materials based on first-principles calculations. We use as our starting point the Magnetic Materials Database on the Bilbao Crystallographic Server, which contains more than 549 magnetic compounds with magnetic structures deduced from neutron-scattering experiments, and identify 130 enforced semimetals (for which the band crossings are implied by symmetry eigenvalues), and topological insulators. For each compound, we perform complete electronic structure calculations, which include complete topological phase diagrams using different values of the Hubbard potential. Using a custom code to find the magnetic co-representations of all bands in all magnetic space groups, we generate data to be fed into the algorithm of MTQC to determine the topology of each magnetic material. Several of these materials display previously unknown topological phases, including symmetry-indicated magnetic semimetals, three-dimensional anomalous Hall insulators and higher-order magnetic semimetals. We analyse topological trends in the materials under varying interactions: 60 per cent of the 130 topological materials have topologies sensitive to interactions, and the others have stable topologies under varying interactions. We provide a materials database for future experimental studies and open-source code for diagnosing topologies of magnetic materials.

Quantum-limit Chern topological magnetism in TbMn6Sn6.

The quantum-level interplay between geometry, topology and correlation is at the forefront of fundamental physics1-15. Kagome magnets are predicted to support intrinsic Chern quantum phases owing to their unusual lattice geometry and breaking of time-reversal symmetry14,15. However, quantum materials hosting ideal spin-orbit-coupled kagome lattices with strong out-of-plane magnetization are lacking16-21. Here, using scanning tunnelling microscopy, we identify a new topological kagome magnet, TbMn6Sn6, that is close to satisfying these criteria. We visualize its effectively defect-free, purely manganese-based ferromagnetic kagome lattice with atomic resolution. Remarkably, its electronic state shows distinct Landau quantization on application of a magnetic field, and the quantized Landau fan structure features spin-polarized Dirac dispersion with a large Chern gap. We further demonstrate the bulk-boundary correspondence between the Chern gap and the topological edge state, as well as the Berry curvature field correspondence of Chern gapped Dirac fermions. Our results point to the realization of a quantum-limit Chern phase in TbMn6Sn6, and may enable the observation of topological quantum phenomena in the RMn6Sn6 (where R is a rare earth element) family with a variety of magnetic structures. Our visualization of the magnetic bulk-boundary-Berry correspondence covering real space and momentum space demonstrates a proof-of-principle method for revealing topological magnets.

Evolution of the flat band and the role of lattice relaxations in twisted bilayer graphene.

Magic-angle twisted bilayer graphene exhibits correlated phenomena such as superconductivity and Mott insulating states related to the weakly dispersing flat band near the Fermi energy. Such a flat band is expected to be sensitive to both the moiré period and lattice relaxations. Thus, clarifying the evolution of the electronic structure with the twist angle is critical for understanding the physics of magic-angle twisted bilayer graphene. Here we combine nano-spot angle-resolved photoemission spectroscopy and atomic force microscopy to resolve the fine electronic structure of the flat band and remote bands, as well as their evolution with twist angle from 1.07° to 2.60°. Near the magic angle, the dispersion is characterized by a flat band near the Fermi energy with a strongly reduced band width. Moreover, we observe a spectral weight transfer between remote bands at higher binding energy, which allows to extract the modulated interlayer spacing near the magic angle. Our work provides direct spectroscopic information on flat band physics and highlights the important role of lattice relaxations.

Catalogue of topological electronic materials.

Topological electronic materials such as bismuth selenide, tantalum arsenide and sodium bismuthide show unconventional linear response in the bulk, as well as anomalous gapless states at their boundaries. They are of both fundamental and applied interest, with the potential for use in high-performance electronics and quantum computing. But their detection has so far been hindered by the difficulty of calculating topological invariant properties (or topological nodes), which requires both experience with materials and expertise with advanced theoretical tools. Here we introduce an effective, efficient and fully automated algorithm that diagnoses the nontrivial band topology in a large fraction of nonmagnetic materials. Our algorithm is based on recently developed exhaustive mappings between the symmetry representations of occupied bands and topological invariants. We sweep through a total of 39,519 materials available in a crystal database, and find that as many as 8,056 of them are topologically nontrivial. All results are available and searchable in a database with an interactive user interface.

Engineering the Band Topology in a Rhombohedral Trilayer Graphene Moiré Superlattice.

Moiré superlattices have become a fertile playground for topological Chern insulators, where the displacement field can tune the quantum geometry and Chern number of the topological band. However, in experiments, displacement field engineering of spontaneous symmetry-breaking Chern bands has not been demonstrated. Here in a rhombohedral trilayer graphene moiré superlattice, we use a thermodynamic probe and transport measurement to monitor the Chern number evolution as a function of the displacement field. At a quarter filling of the moiré band, a novel Chern number of three is unveiled to compete with the well-established number of two upon turning on the electric field and survives when the displacement field is sufficiently strong. The transition can be reconciled by a nematic instability on the Fermi surface due to the pseudomagnetic vector field potentials associated with moiré strain patterns. Our work opens more opportunities to active control of Chern numbers in van der Waals moiré systems.

Correlated Charge Density Wave Insulators in Chirally Twisted Triple Bilayer Graphene.

Electrons residing in a flat-band system can play a vital role in triggering spectacular phenomenology due to relatively large interactions and spontaneous breaking of different degeneracies. In this work, we demonstrate chirally twisted triple bilayer graphene, a new moiré structure formed by three pieces of helically stacked Bernal bilayer graphene, as a highly tunable flat-band system. In addition to the correlated insulators showing at integer moiré fillings, commonly attributed to interaction induced symmetry broken isospin flavors in graphene, we observe abundant insulating states at half-integer moiré fillings, suggesting a longer-range interaction and the formation of charge density wave insulators which spontaneously break the moiré translation symmetry. With weak out-of-plane magnetic field applied, as observed half-integer filling states are enhanced and more quarter-integer filling states appear, pointing toward further quadrupling moiré unit cells. The insulating states at fractional fillings combined with Hartree-Fock calculations demonstrate the observation of a new type of correlated charge density wave insulators in graphene and points to a new accessible twist manner engineering correlated moiré electronics.

Chemical Potential Characterization of Symmetry-Breaking Phases in a Rhombohedral Trilayer Graphene.

Rhombohedral trilayer graphene has recently emerged as a natural flat-band platform for studying interaction-driven symmetry-breaking phases. The displacement field (D) can further flatten the band to enhance the density of states, thereby controlling the electronic correlation that tips the energy balance between spin and valley degrees of freedom. To characterize the energy competition, chemical potential measurement─a direct thermodynamic probe of Fermi surfaces─is highly demanding to be conducted under a constant D. In this work, we characterize D-dependent isospin flavor polarization, where electronic states with isospin degeneracies of one and two can be identified. We also developed a method to measure the chemical potential at a fixed D, allowing for the extraction of energy variation during phase transitions. Furthermore, symmetry breaking could also be invoked in Landau levels, manifesting as quantum Hall ferromagnetism. Our work opens more opportunities for the thermodynamic characterization of displacement-field tuned van der Waals heterostructures.

Hofstadter Topology with Real Space Invariants and Reentrant Projective Symmetries.

Adding magnetic flux to a band structure breaks Bloch's theorem by realizing a projective representation of the translation group. The resulting Hofstadter spectrum encodes the nonperturbative response of the bands to flux. Depending on their topology, adding flux can enforce a bulk gap closing (a Hofstadter semimetal) or boundary state pumping (a Hofstadter topological insulator). In this Letter, we present a real space classification of these Hofstadter phases. We give topological indices in terms of symmetry-protected real space invariants, which reveal the bulk and boundary responses of fragile topological states to flux. In fact, we find that the flux periodicity in tight-binding models causes the symmetries which are broken by the magnetic field to reenter at strong flux where they form projective point group representations. We completely classify the reentrant projective point groups and find that the Schur multipliers which define them are Arahanov-Bohm phases calculated along the bonds of the crystal. We find that a nontrivial Schur multiplier is enough to predict and protect the Hofstadter response with only zero-flux topology.

Audio-Visual Fusion Based on Interactive Attention for Person Verification.

With the rapid development of multimedia technology, personnel verification systems have become increasingly important in the security field and identity verification. However, unimodal verification systems have performance bottlenecks in complex scenarios, thus triggering the need for multimodal feature fusion methods. The main problem with audio-visual multimodal feature fusion is how to effectively integrate information from different modalities to improve the accuracy and robustness of the system for individual identity. In this paper, we focus on how to improve multimodal person verification systems and how to combine audio and visual features. In this study, we use pretrained models to extract the embeddings from each modality and then perform fusion model experiments based on these embeddings. The baseline approach in this paper involves taking the fusion feature and passing it through a fully connected (FC) layer. Building upon this baseline, we propose three fusion models based on attentional mechanisms: attention, gated, and inter-attention. These fusion models are trained on the VoxCeleb1 development set and tested on the evaluation sets of the VoxCeleb1, NIST SRE19, and CNC-AV datasets. On the VoxCeleb1 dataset, the best system performance achieved in this study was an equal error rate (EER) of 0.23% and a detection cost function (minDCF) of 0.011. On the evaluation set of NIST SRE19, the EER was 2.60% and the minDCF was 0.283. On the evaluation set of the CNC-AV set, the EER was 11.30% and the minDCF was 0.443. These experimental results strongly demonstrate that the proposed fusion method can significantly improve the performance of multimodal character verification systems.

Magic-Angle Twisted Bilayer Graphene as a Topological Heavy Fermion Problem.

Magic-angle (θ=1.05°) twisted bilayer graphene (MATBG) has shown two seemingly contradictory characters: the localization and quantum-dot-like behavior in STM experiments, and delocalization in transport experiments. We construct a model, which naturally captures the two aspects, from the Bistritzer-MacDonald (BM) model in a first principle spirit. A set of local flat-band orbitals (f) centered at the AA-stacking regions are responsible to the localization. A set of extended topological semimetallic conduction bands (c), which are at small energetic separation from the local orbitals, are responsible to the delocalization and transport. The topological flat bands of the BM model appear as a result of the hybridization of f and c electrons. This model then provides a new perspective for the strong correlation physics, which is now described as strongly correlated f electrons coupled to nearly free c electrons-we hence name our model as the topological heavy fermion model. Using this model, we obtain the U(4) and U(4)×U(4) symmetries of Refs. [1-5] as well as the correlated insulator phases and their energies. Simple rules for the ground states and their Chern numbers are derived. Moreover, features such as the large dispersion of the charge ±1 excitations [2,6,7], and the minima of the charge gap at the Γ_{M} point can now, for the first time, be understood both qualitatively and quantitatively in a simple physical picture. Our mapping opens the prospect of using heavy-fermion physics machinery to the superconducting physics of MATBG.

Fragile Topology and Flat-Band Superconductivity in the Strong-Coupling Regime.

In flat bands, superconductivity can lead to surprising transport effects. The superfluid "mobility", in the form of the superfluid weight D_{s}, does not draw from the curvature of the band but has a purely band-geometric origin. In a mean-field description, a nonzero Chern number or fragile topology sets a lower bound for D_{s}, which, via the Berezinskii-Kosterlitz-Thouless mechanism, might explain the relatively high superconducting transition temperature measured in magic-angle twisted bilayer graphene (MATBG). For fragile topology, relevant for the bilayer system, the fate of this bound for finite temperature and beyond the mean-field approximation remained, however, unclear. Here, we numerically use exact Monte Carlo simulations to study an attractive Hubbard model in flat bands with topological properties akin to those of MATBG. We find a superconducting phase transition with a critical temperature that scales linearly with the interaction strength. Then, we investigate the robustness of the superconducting state to the addition of trivial bands that may or may not trivialize the fragile topology. Our results substantiate the validity of the topological bound beyond the mean-field regime and further stress the importance of fragile topology for flat-band superconductivity.

Delocalization Transition of a Disordered Axion Insulator.

The axion insulator is a higher-order topological insulator protected by inversion symmetry. We show that, under quenched disorder respecting inversion symmetry on average, the topology of the axion insulator stays robust, and an intermediate metallic phase in which states are delocalized is unavoidable at the transition from an axion insulator to a trivial insulator. We derive this conclusion from general arguments, from classical percolation theory, and from the numerical study of a 3D quantum network model simulating a disordered axion insulator through a layer construction. We find the localization length critical exponent near the delocalization transition to be ν=1.42±0.12. We further show that this delocalization transition is stable even to weak breaking of the average inversion symmetry, up to a critical strength. We also quantitatively map our quantum network model to an effective Hamiltonian and we find its low-energy k·p expansion.

Efficient Method for Prediction of Metastable or Ground Multipolar Ordered States and Its Application in Monolayer α-RuX_{3} (X=Cl, I).

Exotic high-rank multipolar order parameters have been found to be unexpectedly active in more and more correlated materials in recent years. Such multipoles are usually dubbed "hidden orders" since they are insensitive to common experimental probes. Theoretically, it is also difficult to predict multipolar orders via ab initio calculations in real materials. Here, we present an efficient method to predict possible multipoles in materials based on linear response theory under random phase approximation. Using this method, we successfully predict two pure metastable magnetic octupolar states in monolayer α-RuCl_{3}, which is confirmed by self-consistent unrestricted Hartree-Fock calculations. We then demonstrate that these octupolar states can be stabilized in monolayer α-RuI_{3}, one of which becomes the octupolar ground state. Furthermore, we also predict a fingerprint of an orthogonal magnetization pattern produced by the octupole moment that can be easily detected by experiment. The method and the example presented in this Letter serve as a guide for searching multipolar order parameters in other correlated materials.

Gapless Criterion for Crystals from Effective Axion Field.

Gapless criteria that can efficiently determine whether a crystal is gapless or not are particularly useful for identifying topological semimetals. In this work, we propose a sufficient gapless criterion for three-dimensional noninteracting crystals, based on the simplified expressions for the bulk average value of the static axion field. The brief logic is that two different simplified expressions give the same value in an insulator, and thus the gapless phase can be detected by the mismatch of them. We demonstrate the effectiveness of the gapless criterion in the magnetic systems with space groups 26 and 13, where mirror, glide, and inversion symmetries provide the simplified expressions. In particular, the gapless criterion can identify gapless phases that are missed by the symmetry-representation approach, as illustrated by space group 26. Our proposal serves as a guiding principle for future discovery of topological semimetals.

Hofstadter Topology: Noncrystalline Topological Materials at High Flux.

The Hofstadter problem is the lattice analog of the quantum Hall effect and is the paradigmatic example of topology induced by an applied magnetic field. Conventionally, the Hofstadter problem involves adding ∼10^{4} T magnetic fields to a trivial band structure. In this Letter, we show that when a magnetic field is added to an initially topological band structure, a wealth of possible phases emerges. Remarkably, we find topological phases that cannot be realized in any crystalline insulators. We prove that threading magnetic flux through a Hamiltonian with a nonzero Chern number or mirror Chern number enforces a phase transition at fixed filling and that a 2D Hamiltonian with a nontrivial Kane-Mele invariant can be classified as a 3D topological insulator (TI) or 3D weak TI phase in periodic flux. We then study fragile topology protected by the product of twofold rotation and time reversal and show that there exists a higher order TI phase where corner modes are pumped by flux. We show that a model of twisted bilayer graphene realizes this phase. Our results rely primarily on the magnetic translation group that exists at rational values of the flux. The advent of Moiré lattices renders our work relevant experimentally. Due to the enlarged Moiré unit cell, it is possible for laboratory-strength fields to reach one flux per plaquette and allow access to our proposed Hofstadter topological phase.

Topology-Bounded Superfluid Weight in Twisted Bilayer Graphene.

While regular flat bands are good for enhancing the density of states and hence the gap, they are detrimental to the superfluid weight. We show that the predicted nontrivial topology of the two lowest flat bands of twisted bilayer graphene (TBLG) plays an important role in the enhancement of the superfluid weight and hence of superconductivity. We derive the superfluid weight (phase stiffness) of the TBLG superconducting flat bands with a uniform pairing, and show that it can be expressed as an integral of the Fubini-Study metric of the flat bands. This mirrors results already obtained for nonzero Chern number bands even though the TBLG flat bands have zero Chern number. We further show that the metric integral is lower bounded by the topological C_{2z}T Wilson loop winding number of TBLG flat bands, which renders that the superfluid weight is also bounded by this topological index. In contrast, trivial flat bands have a zero superfluid weight. The superfluid weight is crucial in determining the Berezinskii-Kosterlitz-Thouless transition temperature of the superconductor. Based on the transition temperature measured in TBLG experiments, we estimate the topological contribution of the superfluid weight in TBLG.

Universal Approach to Magnetic Second-Order Topological Insulator.

We propose a universal practical approach to realize magnetic second-order topological insulator (SOTI) materials, based on properly breaking the time reversal symmetry in conventional (first-order) topological insulators. The approach works for both three dimensions (3D) and two dimensions (2D), and is particularly suitable for 2D, where it can be achieved by coupling a quantum spin Hall insulator with a magnetic substrate. Using first-principles calculations, we predict bismuthene on EuO(111) surface as the first realistic system for a two-dimensional magnetic SOTI. We explicitly demonstrate the existence of the protected corner states. Benefitting from the large spin-orbit coupling and sizable magnetic proximity effect, these corner states are located in a boundary gap ∼83 meV, and hence can be readily probed in experiment. By controlling the magnetic phase transition, a topological phase transition between a first-order TI and a SOTI can be simultaneously achieved in the system. The effect of symmetry breaking, the connection with filling anomaly, and the experimental detection are discussed.

Spin-Orbit-Induced Topological Flat Bands in Line and Split Graphs of Bipartite Lattices.

Topological flat bands, such as the band in twisted bilayer graphene, are becoming a promising platform to study topics such as correlation physics, superconductivity, and transport. In this Letter, we introduce a generic approach to construct two-dimensional (2D) topological quasiflat bands from line graphs and split graphs of bipartite lattices. A line graph or split graph of a bipartite lattice exhibits a set of flat bands and a set of dispersive bands. The flat band connects to the dispersive bands through a degenerate state at some momentum. We find that, with spin-orbit coupling (SOC), the flat band becomes quasiflat and gapped from the dispersive bands. By studying a series of specific line graphs and split graphs of bipartite lattices, we find that (i) if the flat band (without SOC) has inversion or C_{2} symmetry and is nondegenerate, then the resulting quasiflat band must be topologically nontrivial, and (ii) if the flat band (without SOC) is degenerate, then there exists a SOC potential such that the resulting quasiflat band is topologically nontrivial. This generic mechanism serves as a paradigm for finding topological quasiflat bands in 2D crystalline materials and metamaterials.