Magic-angle Twisted Bilayer Graphene Research Articles

Persistent flat band splitting and strong selective band renormalization in a kagome magnet thin film.

Magnetic kagome materials provide a fascinating playground for exploring the interplay of magnetism, correlation and topology. Many magnetic kagome systems have been reported including the binary FemXn (X = Sn, Ge; m:n = 3:1, 3:2, 1:1) family and the rare earth RMn6Sn6 (R = rare earth) family, where their kagome flat bands are calculated to be near the Fermi level in the paramagnetic phase. While partially filling a kagome flat band is predicted to give rise to a Stoner-type ferromagnetism, experimental visualization of the magnetic splitting across the ordering temperature has not been reported for any of these systems due to the high ordering temperatures, hence leaving the nature of magnetism in kagome magnets an open question. Here, we probe the electronic structure with angle-resolved photoemission spectroscopy in a kagome magnet thin film FeSn synthesized using molecular beam epitaxy. We identify the exchange-split kagome flat bands, whose splitting persists above the magnetic ordering temperature, indicative of a local moment picture. Such local moments in the presence of the topological flat band are consistent with the compact molecular orbitals predicted in theory. We further observe a large spin-orbital selective band renormalization in the Fe spin majority channel reminiscent of the orbital selective correlation effects in the iron-based superconductors. Our discovery of the coexistence of local moments with topological flat bands in a kagome system echoes similar findings in magic-angle twisted bilayer graphene, and provides a basis for theoretical effort towards modeling correlation effects in magnetic flat band systems.

A deep equivariant neural network approach for efficient hybrid density functional calculations

Hybrid density functional calculations are essential for accurate description of electronic structure, yet their widespread use is restricted by the substantial computational cost. Here we develop DeepH-hybrid, a deep equivariant neural network method for learning the hybrid-functional Hamiltonian as a function of material structure, which circumvents the time-consuming self-consistent field iterations and enables the study of large-scale materials with hybrid-functional accuracy. Our extensive experiments demonstrate good reliability as well as effective transferability and efficiency of the method. As a notable application, DeepH-hybrid is applied to study large-supercell Moiré-twisted materials, offering the first case study on how the inclusion of exact exchange affects flat bands in magic-angle twisted bilayer graphene. The work generalizes deep-learning electronic structure methods to beyond conventional density functional theory, facilitating the development of deep-learning-based ab initio methods.

Designing Moiré Patterns by Shearing.

We analyze the elastic properties, structural effects, and low-energy physics of a sheared nanoribbon placed on top of graphene, which creates a gradually changing moiré pattern. By means of a classical elastic model we derive the strains in the ribbon and we obtain its electronic energy spectrum with a scaled tight-binding model. The size of the sheared region is determined by the balance between elastic and van der Waals energy, and different regimes are identified. Near the clamped edge, moderate strains and small twist angles lead to one-dimensional channels. Near the sheared edge, a long region behaves like magic angle twisted bilayer graphene (TBG), showing a sharp peak in the density of states, mostly isolated from the rest of the spectrum. We also calculate the band topology along the ribbon and we find that it is stable for large intervals of strains and twist angles. Together with the experimental observations, these results show that the sheared nanoribbon geometry is ideal for exploring superconductivity and correlated phases in TBG in the very sought-after regime of ultralow twist angle disorder.

Topological phases, van Hove singularities, and spin texture in magic-angle twisted bilayer graphene in the presence of proximity-induced spin-orbit couplings

Topological phases, van Hove singularities, and spin texture in magic-angle twisted bilayer graphene in the presence of proximity-induced spin-orbit couplings

Molecular Pairing in Twisted Bilayer Graphene Superconductivity.

We propose a theory for how the weak phonon-mediated interaction (J_{A}=1-4 meV) wins over the prohibitive Coulomb repulsion (U=30-60 meV) and leads to a superconductor in magic-angle twisted bilayer graphene (MATBG). We find the pairing mechanism akin to that in the A_{3}C_{60} family of molecular superconductors: Each AA stacking region of MATBG resembles a C_{60} molecule, in that optical phonons can dynamically lift the degeneracy of the moiré orbitals, in analogy to the dynamical Jahn-Teller effect. Such induced J_{A} has the form of an intervalley anti-Hund's coupling and is less suppressed than U by the Kondo screening near a Mott insulator. Additionally, we also considered an intraorbital Hund's coupling J_{H} that originates from the on-site repulsion of a carbon atom. Under a reasonable approximation of the realistic model, we prove that the renormalized local interaction between quasiparticles has a pairing (negative) channel in a doped correlated insulator at ν=±(2+δν), albeit the bare interaction is positive definite. The proof is nonperturbative and based on exact asymptotic behaviors of the vertex function imposed by Ward identities. Existence of an optimal U for superconductivity is predicted. In a large area of the parameter space of J_{A}, J_{H}, the ground state is found to have a nematic d-wave singlet pairing, which, however, can lead to a p-wave-like nodal structure due to the Berry's phase on Fermi surfaces (or Euler obstruction).

Weak-coupling theory of magic-angle twisted bilayer graphene

Strong correlations occur in magic-angle twisted bilayer graphene (MATBG) when the octet of flat moiré minibands centered on charge neutrality (CN) is partially occupied. The octet consists of a single valence band and a single conduction band for each of four degenerate spin-valley flavors. Motivated by the importance of Hartree electrostatic interactions in determining the filling-factor-dependent band structure, we use a time-dependent Hartree approximation to gain insight into electronic correlations. We find that the electronic compressibility is dominated by Hartree interactions, that paramagnetic states are stable over a range of density near CN, and that the dependence of energy on flavor polarization is strongly overestimated by mean-field theory. Published by the American Physical Society 2024

Infrared single-photon detection with superconducting magic-angle twisted bilayer graphene.

The moiré superconductor magic-angle twisted bilayer graphene (MATBG) shows exceptional properties, with an electron (hole) ensemble of only ~1011 carriers per square centimeter, which is five orders of magnitude lower than traditional superconductors (SCs). This results in an ultralow electronic heat capacity and a large kinetic inductance of this truly two-dimensional SC, providing record-breaking parameters for quantum sensing applications, specifically thermal sensing and single-photon detection. To fully exploit these unique superconducting properties for quantum sensing, here, we demonstrate a proof-of-principle experiment to detect single near-infrared photons by voltage biasing an MATBG device near its superconducting phase transition. We observe complete destruction of the SC state upon absorption of a single infrared photon even in a 16-square micrometer device, showcasing exceptional sensitivity. Our work offers insights into the MATBG-photon interaction and demonstrates pathways to use moiré superconductors as an exciting platform for revolutionary quantum devices and sensors.

Vacancy-Induced Tunable Kondo Effect in Twisted Bilayer Graphene.

In single sheets of graphene, vacancy-induced states have been shown to host an effective spin-1/2 hole that can be Kondo screened at low temperatures. Here, we show how these vacancy-induced impurity states survive in twisted bilayer graphene (TBG), which thus provides a tunable system to probe the critical destruction of the Kondo effect in pseudogap hosts. Abinitio calculations and atomic-scale modeling are used to determine the nature of the vacancy states in the vicinity of the magic angle in TBG, demonstrating that the vacancy can be treated as a quantum impurity. Utilizing this insight, we construct an Anderson impurity model with a TBG host that we solve using the numerical renormalization group combined with the kernel polynomial method. We determine the phase diagram of the model and show how there is a strict dichotomy between vacancies in the AA/BB versus AB/BA tunneling regions. In AB/BA vacancies, the Kondo temperature at the magic angle develops a broad distribution with a tail to vanishing temperatures due to multifractal wave functions at the magic angle. We argue that scanning tunneling microscopy in the vicinity of the vacancy can act as a probe of both the critical single-particle states and the underlying many-body ground state in magic-angle TBG.

Dynamical Correlations and Order in Magic-Angle Twisted Bilayer Graphene

Dynamical Correlations and Order in Magic-Angle Twisted Bilayer Graphene

Cryogenic nano-imaging of second-order moiré superlattices.

Second-order superlattices form when moiré superlattices with similar periodicities interfere with each other, leading to larger superlattice periodicities. These crystalline structures are engineered using two-dimensional materials such as graphene and hexagonal boron nitride, and the specific alignment plays a crucial role in facilitating correlation-driven topological phases. Signatures of second-order superlattices have been identified in magnetotransport experiments; however, real-space visualization is still lacking. Here we reveal the second-order superlattice in magic-angle twisted bilayer graphene closely aligned with hexagonal boron nitride through electronic transport measurements and cryogenic nanoscale photovoltage measurements and evidenced by long-range periodic photovoltage modulations. Our results show that even minuscule strain and twist-angle variations as small as 0.01° can lead to drastic changes in the second-order superlattice structure. Our real-space observations, therefore, serve as a 'magnifying glass' for strain and twist angle and can elucidate the mechanisms responsible for the breaking of spatial symmetries in twisted bilayer graphene.

Long-lived isospin excitations in magic-angle twisted bilayer graphene.

Numerous correlated many-body phases, both conventional and exotic, have been reported in magic-angle twisted bilayer graphene (MATBG)1-24. However, the dynamics associated with these correlated states, crucial for understanding the underlying physics, remain unexplored. Here we combine exciton sensing and optical pump-probe spectroscopy to investigate the dynamics of isospin orders in MATBG with WSe2 substrate across the entire flat band, achieving sub-picosecond resolution. We observe remarkably slow isospin dynamics in a broad filling range around ν = 2 and between ν = -3 and -2, with lifetimes of up to 300 ps that decouple from the much faster cooling of electronic temperature (about 10 ps). This non-thermal behaviour demonstrates the presence of abnormally long-lived modes in the isospin degrees of freedom. This observation, not anticipated by theory, implies the existence of long-range propagating collective modes, strong isospin fluctuations and memory effects and is probably associated with an intervalley coherent or incommensurate Kekulé spiral ground state. We further demonstrate non-equilibrium control of the isospin orders previously found around integer fillings. Specifically, through ultrafast manipulation, it can be transiently shifted away from integer fillings. Our study demonstrates a unique probe of collective excitations in MATBG and paves the way for actively controlling non-equilibrium phenomena in moiré systems.

Nonlinear Electrical Transport Unveils Fermi Surface Malleability in a Moiré Heterostructure.

Van Hove singularities enhance many-body interactions and induce collective states of matter ranging from superconductivity to magnetism. In magic-angle twisted bilayer graphene, van Hove singularities appear at low energies and are malleable with density, leading to a sequence of Lifshitz transitions and resets observable in Hall measurements. However, without a magnetic field, linear transport measurements have limited sensitivity to the band's topology. Here, we utilize nonlinear longitudinal and transverse transport measurements to probe these unique features in twisted bilayer graphene at zero magnetic field. We demonstrate that the nonlinear responses, induced by the Berry curvature dipole and extrinsic scattering processes, intricately map the Fermi surface reconstructions at various fillings. Importantly, our experiments highlight the intrinsic connection of these features with the moiré bands. Beyond corroborating the insights from linear Hall measurements, our findings establish nonlinear transport as a pivotal tool for probing band topology and correlated phenomena.

Topological mixed valence model in magic-angle twisted bilayer graphene

Topological mixed valence model in magic-angle twisted bilayer graphene

Topological flat bands, valley polarization, and interband superconductivity in magic-angle twisted bilayer graphene with proximitized spin-orbit couplings

Topological flat bands, valley polarization, and interband superconductivity in magic-angle twisted bilayer graphene with proximitized spin-orbit couplings

Selective and quasi-continuous switching of ferroelectric Chern insulator devices for neuromorphic computing.

Quantum materials exhibit dissipationless topological edge state transport with quantized Hall conductance, offering notable potential for fault-tolerant computing technologies. However, the development of topological edge state-based computing devices remains a challenge. Here we report the selective and quasi-continuous ferroelectric switching of topological Chern insulator devices, showcasing a proof-of-concept demonstration in noise-immune neuromorphic computing. We fabricate this ferroelectric Chern insulator device by encapsulating magic-angle twisted bilayer graphene with doubly aligned h-BN layers and observe the coexistence of the interfacial ferroelectricity and the topological Chern insulating states. The observed ferroelectricity exhibits an anisotropic dependence on the in-plane magnetic field. By tuning the amplitude of the gate voltage pulses, we achieve ferroelectric switching between any pair of Chern insulating states in the presence of a finite magnetic field, resulting in 1,280 ferroelectric states with distinguishable Hall resistance levels on a single device. Furthermore, we demonstrate deterministic switching between two arbitrary levels among the record-high number of ferroelectric states. This unique switching capability enables the implementation of a convolutional neural network resistant to external noise, utilizing the quantized Hall conductance levels of the Chern insulator device as weights. Our study provides a promising avenue towards the development of topological quantum neuromorphic computing, where functionality and performance can be drastically enhanced by topological quantum materials.

Topological heavy fermions in magnetic field

The recently introduced topological heavy fermion model (THFM) provides a means for interpreting the low-energy electronic degrees of freedom of the magic angle twisted bilayer graphene as hybridization amidst highly dispersing topological conduction and weakly dispersing localized heavy fermions. In order to understand the Landau quantization of the ensuing electronic spectrum, a generalization of THFM to include the magnetic field B is desired, but currently missing. Here we provide a systematic derivation of the THFM in B and solve the resulting model to obtain the interacting Hofstadter spectra for single particle charged excitations. While naive minimal substitution within THFM fails to correctly account for the total number of magnetic subbands within the narrow band i.e., its total Chern number, our method—based on projecting the light and heavy fermions onto the irreducible representations of the magnetic translation group— reproduces the correct total Chern number. Analytical results presented here offer an intuitive understanding of the nature of the (strongly interacting) Hofstadter bands.

Uncovering the spin ordering in magic-angle graphene via edge state equilibration

The flat bands in magic-angle twisted bilayer graphene (MATBG) provide an especially rich arena to investigate interaction-driven ground states. While progress has been made in identifying the correlated insulators and their excitations at commensurate moiré filling factors, the spin-valley polarizations of the topological states that emerge at high magnetic field remain unknown. Here we introduce a technique based on twist-decoupled van der Waals layers that enables measurement of their electronic band structure and–by studying the backscattering between counter-propagating edge states–the determination of the relative spin polarization of their edge modes. We find that the symmetry-broken quantum Hall states that extend from the charge neutrality point in MATBG are spin unpolarized at even integer filling factors. The measurements also indicate that the correlated Chern insulator emerging from half filling of the flat valence band is spin unpolarized and suggest that its conduction band counterpart may be spin polarized.

Kekulé spirals and charge transfer cascades in twisted symmetric trilayer graphene

We study the phase diagram of magic-angle twisted symmetric trilayer graphene in the presence of uniaxial heterostrain and interlayer displacement field. For experimentally reasonable strain, our mean-field analysis finds robust Kekulé spiral order whose doping-dependent ordering vector is incommensurate with the moiré superlattice, consistent with recent scanning tunneling microscopy experiments, and paralleling the behavior of closely related twisted bilayer graphene (TBG) systems. Strikingly, we identify a possibility absent in TBG: the existence of Kekulé spiral order even at zero strain for experimentally realistic values of the interlayer potential in a trilayer. Our studies also reveal a complex pattern of charge transfer between weakly and strongly dispersive bands in strained trilayer samples as the density is tuned by electrostatic gating, that can be understood intuitively in terms of the “cascades” in the compressibility of magic-angle TBG. Published by the American Physical Society 2024

Magic-angle twisted bilayer graphene under orthogonal and in-plane magnetic fields

We investigate the effect of a magnetic field on the band structure of bilayer graphene with a magic twist angle of 1.08∘. The coupling of a tight-binding model and the Peierls phase allows the calculation of the energy bands of periodic two-dimensional systems. For an orthogonal magnetic field, the Landau levels are dispersive, particularly for magnetic lengths comparable to or larger than the twisted bilayer cell size. A high in-plane magnetic field modifies the low-energy bands and gap, which we demonstrate to be a direct consequence of the minimal coupling.

Effective model for superconductivity in magic-angle graphene

We carry out large-scale quantum Monte Carlo simulations of a candidate field theory for the onset of superconductivity in magic-angle twisted bilayer graphene. The correlated insulating state at charge neutrality spontaneously breaks U(1) Moiré valley symmetry. Owing to the topological nature of the bands, skyrmion defects of the order parameter carry charge 2e and condense upon doping. In our calculations we encode the U(1) symmetry by an internal degree of freedom such that it is not broken upon lattice regularization. Furthermore, the skyrmion carries the same charge. The nature of the doping-induced phase transitions depends on the strength of the easy-plane anisotropy that reduces the SU(2) valley symmetry to U(1)×Z2. For large anisotropy, we observe two distinct transitions separated by phase coexistence. While the insulator to superconducting transition is of mean-field character, the U(1) transition is consistent with three-dimensional XY criticality. Hence, the coupling between the gapless charge excitations of the superconducting phase and the XY order parameter is irrelevant. At small anisotropy, we observe a first-order transition characterized by phase separation. Published by the American Physical Society 2024