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The Lieb lattice is one of the simplest lattices that exhibits both linear Dirac-like and flat topological electronic bands. We propose to further tailor its electronic properties through periodic 1D electrostatic superlattices (SLs), which, in the long wavelength limit, were predicted to give rise to novel transport signatures, such as the omnidirectional super-Klein tunnelling (SKT). By numerically modelling the electronic structure at tight-binding level, we uncover the evolution of the Lieb SL band structure from the discrete all the way to the continuum regime and build a comprehensive picture of the Lieb lattice under 1D potentials. This approach allows us to also take into consideration the discrete lattice symmetry-breaking that occurs at the well/barrier interfaces created by the 1D SL, whose consequences cannot be explored using the previous low energy and long wavelength approaches. We find novel features in the band structure, among which are intersections of quadratic and flat bands, tilted Dirac cones, or series of additional anisotropic Dirac cones at energies where the SKT is predicted. Such features are relevant to experimental realizations of electronic transport in Lieb 1D SL realized in artificial lattices or in real material systems like 2D covalent organic/metal-organic frameworks and inorganic 2D solids.

Diverse emergent correlated electron phenomena have been observed in twisted graphene layers due to electronic interactions with the moir\'e superlattice potential. Many electronic structure predictions have been reported exploring this new field, but with few momentum-resolved electronic structure measurements to test them. Here we use angle-resolved photoemission spectroscopy (ARPES) to study the twist-dependent ($1^\circ < \theta < 8^\circ$) electronic band structure of few-layer graphenes, including twisted bilayer, monolayer-on-bilayer, and double-bilayer graphene (tDBG). Direct comparison is made between experiment and theory, using a hybrid $\textbf{k}\cdot\textbf{p}$ model for interlayer coupling and implementing photon-energy-dependent phase shifts for photo-electrons from consecutive layers to simulate ARPES spectra. Quantitative agreement between experiment and theory is found across twist angles, stacking geometries, and back-gate voltages, validating the models and revealing displacement field induced gap openings in twisted graphenes. However, for tDBG at $\theta=1.5\pm0.2^\circ$, close to the predicted magic-angle of $\theta=1.3^\circ$, a flat band is found near the Fermi-level with measured bandwidth of $E_w = 31\pm5$ meV. Analysis of the gap between the flat band and the next valence band shows significant deviations between experiment ($\Delta_h=46\pm5$meV) and the theoretical model ($\Delta_h=5$meV), indicative of the importance of lattice relaxation in this regime.

We report on the interplay between a van Hove singularity and a charge density wave state in 2H-TaSe$_{2}$. We use angle-resolved photoemission spectroscopy to investigate changes in the Fermi surface of this material under surface doping with potassium. At high doping, we observe modifications which imply the disappearance of the $(3\times 3)$ charge density wave and formation of a different correlated state. Using a tight-binding-based approach as well as an effective model, we explain our observations as a consequence of coupling between the single-particle Lifshitz transition during which the Fermi level passes a van Hove singularity and the charge density order. In this scenario, the high electronic density of states associated with the van Hove singularity induces a change in the periodicity of the charge density wave from the known $(3\times 3)$ to a new $(2\times 2)$ superlattice., Comment: main text: 12 pages, 6 figures; supplement: 25 pages, 15 figures

Conditional extreme value theory (EVT) methods promise enhanced forecasting of the extreme tail events that often dominate systemic risk. We present an improved two-tailed peaks-over-threshold (2T-POT) Hawkes model that is adapted for conditional quantile forecasting in both the left and right tails of a univariate time series. This is applied to the daily log-returns of six large cap indices. We also take the unique step of fitting the model at multiple exceedance thresholds (from the 1.25% to 25.00% mirrored quantiles). Quantitatively similar asymmetries in Hawkes parameters are found across all six indices, adding further empirical support to a temporal leverage effect in financial price time series in which the impact of losses is not only larger but also more immediate. Out-of-sample backtests find that our 2T-POT Hawkes model is more reliably accurate than the GARCH-EVT model when forecasting (mirrored) value-at-risk and expected shortfall at the 5% coverage level and below. This suggests that asymmetric Hawkes-type arrival dynamics are a better approximation of the true data generating process for extreme daily log-returns than GARCH-type conditional volatility; our 2T-POT Hawkes model therefore presents a better performing alternative for financial risk modelling., Comment: Main paper: 25 pages, 7 figures, 6 tables. Supplementary material: 12 pages, 14 figures

The new class of Janus two-dimensional (2D) transition-metal dichalcogenides with two different interfaces are currently gaining increasing attention due to their distinct properties different from the typical 2D materials. Here, we show that in-plane anisotropy of a 2D atomic crystal, like ReS$_{2}$ or ReSe$_{2}$, allows formation of a large number of inequivalent Janus monolayers. We use first-principles calculations to investigate the structural stability of 29 distinct ReX$_{2-x}$Y$_{x}$ ($\mathrm{X,Y \in \{S,Se\}}$) structures, which can be obtained by selective exchange of exposed chalcogens in a ReX$_{2}$ monolayer. We also examine the electronic properties and work function of the most stable Janus monolayers and show that the large number of inequivalent structures provides a way to engineer spin-orbit splitting of the electronic bands. We find that the breaking of inversion symmetry leads to sizable spin splittings and spontaneous diople moments than are larger than those in other Janus dichalcogenides. Moreover, our caluclations suggest that the work function of the Janus monolayers can be tuned by varying the content of the substituting chalcogen. Our work demonstrates that in-plane anisotropy provides additional flexibility in sub-layer engineering of 2D atomic crystals.

We study the valence band structure of ReSe$_{2}$ crystals with varying thickness down to a single layer using nanoscale angle-resolved photoemission spectroscopy and density functional theory. The width of the top valence band in the direction perpendicular to the rhenium chains decreases with decreasing number of layers, from 280 meV for the bulk to 61 meV for monolayer. This demonstrates increase of in-plane anisotropy induced by changes in the interlayer coupling and suggests progressively more one-dimensional character of electronic states in few-layer rhenium dichalcogenides.

We construct a two-tailed peak-over-threshold Hawkes model that captures asymmetric self- and cross-excitation in and between left- and right-tail extreme values within a time series. We demonstrate its applicability by investigating extreme gains and losses within the daily log-returns of the S&P 500 equity index. We find that the arrivals of extreme losses and gains are described by a common conditional intensity to which losses contribute twice as much as gains. However, the contribution of the former decays almost five times more quickly than that of the latter. We attribute these asymmetries to the different reactions of market traders to extreme upward and downward movements of asset prices: an example of negativity bias, wherein trauma is more salient than euphoria., Comment: 15 pages, 10 figures, and 8 tables

In stacks of two-dimensional crystals, mismatch of their lattice constants and misalignment of crystallographic axes lead to formation of moir\'{e} patterns. We show that moir\'{e} superlattice effects persist in twisted bilayer graphene (tBLG) with large twists and short moir\'{e} 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 moir\'{e} minibands and detect signatures of secondary Dirac points in the reconstructed dispersions. For twists $\theta>21.8^{\circ}$, the low-energy minigaps are not due to cone anti-crossing as is the case at smaller twist angles but rather due to moir\'{e} scattering of electrons in one graphene layer on the potential of the other which generates intervalley coupling. Our work demonstrates robustness of mechanisms which enable engineering of electronic dispersions of stacks of two-dimensional crystals by tuning the interface twist angles. It also shows that large-angle tBLG hosts electronic minigaps and van Hove singularities of different origin which, given recent progress in extreme doping of graphene, could be explored experimentally., Comment: main text: 25 pages, 5 figures; supplement: 22 pages, 7 figures

Lack of directional bonding between two-dimensional crystals like graphene or monolayer transition metal dichalcogenides provides unusual freedom in selection of components for vertical van der Waals heterostructures. However, even for identical layers, their stacking, in particular the relative angle between their crystallographic directions, modifies properties of the structure. We demonstrate that the interatomic coupling between two two-dimensional crystals can be determined from angle-resolved photoemission spectra of a trilayer structure with one aligned and one twisted interface. Each of the interfaces provides complementary information and together they enable self-consistent determination of the coupling. We parametrize interatomic coupling for carbon atoms by studying twisted trilayer graphene and show that the result can be applied to structures with different twists and number of layers. Our approach demonstrates how to extract fundamental information about interlayer coupling in a stack of two-dimensional crystals and can be applied to many other van der Waals interfaces., Comment: This is a post-peer-review, pre-copyedit version of an article published in Nature Communications. The final authenticated version is available online at: http://dx.doi.org/10.1038/s41467-020-17412-0

Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as thickness-dependent changes in the valence band structure in post-transition metal monochalcogenides and black phosphorus. Here, we use angle-resolved photoemission spectroscopy to study the electronic band structure of monolayer ReSe$_{2}$, a semiconductor with a distorted 1T structure and in-plane anisotropy. By changing the polarization of incoming photons, we demonstrate that for ReSe$_{2}$, in contrast to the 2H materials, the out-of-plane transition metal $d_{z^{2}}$ and chalcogen $p_{z}$ orbitals do not contribute significantly to the top of the valence band which explains the reported weak changes in the electronic structure of this compound as a function of layer number. We estimate a band gap of 1.7 eV in pristine ReSe$_{2}$ using scanning tunneling spectroscopy and explore the implications on the gap following surface-doping with potassium. A lower bound of 1.4 eV is estimated for the gap in the fully doped case, suggesting that doping-dependent many-body effects significantly affect the electronic properties of ReSe$_{2}$. Our results, supported by density functional theory calculations, provide insight into the mechanisms behind polarization-dependent optical properties of rhenium dichalcogenides and highlight their place amongst two-dimensional crystals., Comment: 37 pages (including Supporting Information), 7 figures in the main text

We study electronic contribution to the Raman scattering signals of two-, three- and four-layer graphene with layers at one of the interfaces twisted by a small angle with respect to each other. We find that the Raman spectra of these systems feature two peaks produced by van Hove singularities in moir\'{e} minibands of twistronic graphene, one related to direct hybridization of Dirac states, and the other resulting from band folding caused by moir\'{e} superlattice. The positions of both peaks strongly depend on the twist angle, so that their detection can be used for non-invasive characterization of the twist, even in hBN-encapsulated structures., Comment: 7 pages (including 4 figures) + 10 pages (3 figures) supplement

Rhombohedral graphite features peculiar electronic properties, including persistence of low-energy surface bands of a topological nature. Here, we study the contribution of electron-hole excitations towards inelastic light scattering in thin films of rhombohedral graphite. We show that, in contrast to the featureless electron-hole contribution towards Raman spectrum of graphitic films with Bernal stacking, the inelastic light scattering accompanied by electron-hole excitations in crystals with rhombohedral stacking produces distinct features in the Raman signal which can be used both to identify the stacking and to determine the number of layers in the film., Comment: 15 pages in preprint format, 4 figures, accepted version

We study theoretically the electron current across a monolayer graphene/hexagonal boron nitride/bilayer graphene tunnelling junction in an external magnetic field perpendicular to the layers. We show that change in effective tunnelling barrier width for electrons on different graphene layers of bilayer graphene, coupled with the fact that its Landau level wave functions are not equally distributed amongst the layers with a distribution that is reversed between the two valleys, lead to valley polarisation of the tunnelling current. We estimate that valley polarisation $\sim 70\%$ can be achieved in high quality devices at $B=1$ T. Moreover, we demonstrate that strong valley polarisation can be obtained both in the limit of strong-momentum conserving tunnelling and in lower quality devices where this constraint is lifted., Comment: 12 pages, 7 figures

Formation of moir\'{e} superlattices is common in Van der Waals heterostructures as a result of the mismatch between lattice constants and misalignment of crystallographic directions of the constituent two-dimensional crystals. We discuss theoretically electron transport in a Van der Waals tunnelling transistor in which one of the electrodes is made of two crystals forming a moir\'{e} superlattice at their interface. By investigating structures containing either the aligned graphene/hexagonal boron nitride heterostructure or twisted bilayer graphene, we show that negative differential resistance is possible in such transistors as a consequence of the superlattice-induced changes in the electronic density of states and without the need of momentum conserving tunnelling present in high-quality exfoliated devices.

The band structures of bulk transition metal dichalcogenides ReS2 and ReSe2 are presented, showing the complicated nature of the interband transitions in these materials, with several close-lying band gaps. Three-dimensional plots of constant energy surfaces in the Brillouin zone at energies near the band extrema are used to show that the valence band maximum and conduction band minimum may not be located at special high symmetry points. We find that both materials are indirect gap materials and that one must be careful to consider the whole Brillouin zone volume in addressing this question.

Using the continuum model, we investigate theoretically contribution of the low-energy electronic excitations to the Raman spectrum of superconducting monolayer graphene. We consider superconducting phases characterised by an isotropic order parameter in a single valley and find a Raman peak at a shift set by the size of the superconducting gap. The height of this peak is proportional to the square root of the gap and the third power of the Fermi level, and we estimate its quantum efficiency as $I\sim10^{-14}$., Comment: 7 pages, 2 figures

Van der Waals heterostructures, vertical stacks of layered materials, offer newopportunities for novel quantum phenomena which are absent in their constituent components. Here we report the emergence of polaron quasiparticles at the interface of graphene/hexagonal boron nitride (h-BN) heterostructures. Using nanospot angle-resolved photoemission spectroscopy, we observe zone-corner replicas of h-BN valence band maxima, with energy spacing coincident with the highest phonon energy of the heterostructure|an indication of Frohlich polaron formation due to forward scattering electron-phonon coupling. Parabolic fitting of the h-BN bands yields an effective mass enhancement of ~ 2.3, suggesting an intermediate coupling strength. Our theoretical simulations based on Migdal-Eliashberg theory corroborate the experimental results, allowing the extraction of microscopic physical parameters. Moreover,renormalisation of graphene $\pi$ band is observed due to the hybridisation with the h-BN band. Our work generalises the polaron study from transition metal oxides to Van derWaals heterostructures with higher material exibility, highlighting interlayer coupling as an extra degree of freedom to explore emergent phenomena.

Nearly aligned graphene on hexagonal boron nitride (G/BN) can be accurately modeled by a Dirac Hamiltonian perturbed by smoothly varying moir\'e pattern pseudospin fields. Here, we present the moir\'e-band model of G/BN for arbitrary small twist angles under a framework that combines symmetry considerations with input from ab-initio calculations. Our analysis of the band gaps at the primary and secondary Dirac points highlights the role of inversion symmetry breaking contributions of the moir\'e patterns, leading to primary Dirac point gaps when the moir\'e strains give rise to a finite average mass, and to secondary gaps when the moir\'e pseudospin components are mixed appropriately. The pseudomagnetic strain fields which can reach values of up to $\sim$40 Tesla near symmetry points in the moir\'e cell stem almost entirely from virtual hopping and dominate over the contributions arising from bond length distortions due to the moir\'e strains., Comment: 14 pages, 8 figures, 3 tables

ReSe2 and ReS2 are unusual compounds amongst the layered transition metal dichalcogenides as a result of their low symmetry, with a characteristic in-plane anisotropy due to in-plane rhenium chains. They preserve inversion symmetry independent of the number of layers and, in contrast to more well-known transition metal dichalcogenides, bulk and few-monolayer Re-TMD compounds have been proposed to behave as electronically and vibrational decoupled layers. Here, we probe for the first time the electronic band structure of bulk ReSe2 by direct nanoscale angle-resolved photoemission spectroscopy. We find a highly anisotropic in- and out-of-plane electronic structure, with the valence band maxima located away from any particular high-symmetry direction. The effective mass doubles its value perpendicular to the Re chains and the interlayer van der Waals coupling generates significant electronic dispersion normal to the layers. Our density functional theory calculations, including spin-orbit effects, are in excellent agreement with these experimental findings.

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 moir\'{e} perturbation of graphene electrons which couples states in inequivalent graphene Brillouin zone corners and leads to the formation of minibands. We show that, depending on the details of the moir\'{e} perturbation, the miniband structure can be tuned from that with a single band gap at the neutrality point and over-lapping minibands on the conduction/valence band side to a situation where a single narrow miniband is separated by gaps from the rest of the spectrum., Comment: 7 pages, 3 figures

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 secondary Dirac points in the valence band, which we confirm by numerical simulations. Then, we analyze how single-particle gaps in the fractal energy spectrum produce a sequence of incompressible states observable under a variation of carrier density and magnetic field., Comment: 8 pages, 4 figures

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 hBN can be distinguished from the miniband formation., Comment: 8.5 pages and 9 figures; version published in Phys. Rev. B

Bilayer graphene is a highly tunable material: not only can one tune the Fermi energy using standard gates, as in single-layer graphene, but the band structure can also be modified by external perturbations such as transverse electric fields or strain. We review the theoretical basics of the band structure of bilayer graphene and study the evolution of the band structure under the influence of these two external parameters. We highlight their key role concerning the ease to experimentally probe the presence of a Lifshitz transition, which consists in a change of Fermi contour topology as a function of energy close to the edges of the conduction and valence bands. Using a device geometry that allows the application of exceptionally high displacement fields, we then illustrate in detail the way to probe the topology changes experimentally using quantum Hall effect measurements in a gapped bilayer graphene system., Comment: To be published in Synthetic Metals, special issue "Advances in Graphene"

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, the ability to compare spectra for the opposite signs of electric-field-induced interlayer asymmetry might provide additional information about the moire parameters., Comment: 7 pages, 6 figures, minor changes, version accepted to PRB

Van der Waals heterostructures of graphene and hexagonal boron nitride feature a moir\'e 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., Comment: 25 pages, 7 figures

We investigate the effects of homogeneous and inhomogeneous deformations and edge disorder on the conductance of gated graphene nanoribbons. Under increasing homogeneous strain the conductance of such devices initially decreases before it acquires a resonance structure, and finally becomes completely suppressed at larger strain. Edge disorder induces mode mixing in the contact regions, which can restore the conductance to its ballistic value. The valley-antisymmetric pseudo-magnetic field induced by inhomogeneous deformations leads to the formation of additional resonance states, which either originate from the coupling into Fabry-Perot states that extend through the system, or from the formation of states that are localized near the contacts, where the pseudo-magnetic field is largest. In particular, the n=0 pseudo-Landau level manifests itself via two groups of conductance resonances close to the charge neutrality point., Comment: 10 pages, 6 figures

Fermi surface topology plays an important role in determining the electronic properties of metals. In bulk metals, the Fermi energy is not easily tunable at the energy scale needed for reaching conditions for the Lifshitz transition - a singular point in the band structure where the connectivity of the Fermi surface changes. Bilayer graphene is a unique system where both Fermi energy and the low-energy electron dispersion can be tuned using the interplay between trigonal warping and a band gap opened by a transverse electric field. Here, we drive the Lifshitz transition to experimentally controllable carrier densities by applying large transverse electric fields through a h-BN-encapsulated bilayer graphene structure, and detect it by measuring the degeneracies of Landau levels. These degeneracies are revealed by filling factor -3 and -6 quantum Hall effect states of holes at low magnetic fields reflecting the existence of three maxima on the top of the valence band dispersion. At high magnetic fields all integer quantum Hall states are observed, indicating that deeper in the valence band the constant energy contours are singly-connected. The fact that we observe ferromagnetic quantum Hall states at odd-integer filling factors testifies to the high quality of our sample, and this enables us to identify several phase transitions between correlated quantum Hall states at intermediate magnetic fields, in agreement with the calculated evolution of the Landau level spectrum., Comment: 5 pages, 3 figures

We find a systematic reappearance of massive Dirac features at the edges of consecutive minibands formed at magnetic fields B_{p/q}= p\phi_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 manifestation in the form of incompressible states upon variation of the carrier density and magnetic field., Comment: 5 pages, 4 figures

We propose a theory of optical absorption in monolayer graphene-hexagonal boron nitride (hBN) heterostructures. In highly oriented heterostructures, the hBN underlay produces a long-range moir\'e superlattice potential for the graphene electrons which modifies the selection rules for absorption of incoming photons in the infrared to visible frequency range. The details of the absorption spectrum modification depend on the relative strength of the various symmetry-allowed couplings between the graphene electrons and the hBN, and the resulting nature of the reconstructed band structure., Comment: 8 pages, 3 figures

We present a phenomenological theory of the low energy moir\'e 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 Kekul\'e 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 moir\'e subbband, asymmetrically in the conduction and valence bands., Comment: 5 pages, 3 figures

We study the superlattice minibands produced by the interplay between moir\'e pattern induced by hexagonal BN substrate on graphene layer and the interlayer coupling in bilayer graphene with Bernal stacking (BLG). We compare moir\'e 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., Comment: 12 pages, 5 figures, elaborated on the role of trigonal warping, added discussion of zero-energy gaps in MLG and BLG