Flat Band Research Articles

Ultra-flat bands at large twist angles in group-V twisted bilayer materials.

Flat bands in 2D twisted materials are key to the realization of correlation-related exotic phenomena. However, a flat band often was achieved in the large system with a very small twist angle, which enormously increases the computational and experimental complexity. In this work, we proposed group-V twisted bilayer materials, including P, As, and Sb in the β phase with large twist angles. The band structure of twisted bilayer materials up to 2524 atoms has been investigated by a deep learning method DeepH, which significantly reduces the computational time. Our results show that the bandgap and the flat bandwidth of twisted bilayer β-P, β-As, and β-Sb reduce gradually with the decreasing of twist angle, and the ultra-flat band with bandwidth approaching 0eV is achieved. Interestingly, we found that a twist angle of 9.43° is sufficient to achieve the band flatness for β-As comparable to that of twist bilayer graphene at the magic angle of 1.08°. Moreover, we also find that the bandgap reduces with decreasing interlayer distance while the flat band is still preserved, which suggests interlayer distance as an effective routine to tune the bandgap of flat band systems. Our research provides a feasible platform for exploring physical phenomena related to flat bands in twisted layered 2D materials.

Unconventional Band Structure via Combined Molecular Orbital and Lattice Symmetries in a Surface-Confined Metallated Graphdiyne Sheet.

Graphyne (GY) and graphdiyne (GDY)-based monolayers represent the next generation two-dimensional (2D) carbon-rich materials with tunable structures and properties surpassing those of graphene. However, the detection of band formation in atomically thin GY/GDY analogues has been challenging, as both long-range order and atomic precision have to be fulfilled in the system. Here, we report direct evidence of band formation in on-surface synthesized metallated Ag-GDY sheets with mesoscopic (∼1µm) regularity. Employing scanning tunneling and angle-resolved photoemission spectroscopies, energy-dependent transitions of real-space electronic states above the Fermi level and formation of the valence band are respectively observed. Furthermore, density functional theory (DFT) calculations corroborate our observations and reveal that doubly degenerate frontier molecular orbitals on a honeycomb lattice give rise to flat, Dirac and Kagome bands close to the Fermi level. DFT modeling also indicates an intrinsic band gap for the pristine sheet material, which is retained for a bilayer with h-BN, whereas adsorption-induced in-gap electronic states evolve at the synthesis platform with Ag-GDY decorating the (111) facet of silver. These results illustrate the tremendous potential for engineering novel band structures via molecular orbital and lattice symmetries in atomically precise 2D carbon materials. This article is protected by copyright. All rights reserved.

Polaron spectra and edge singularities for correlated flat bands

Polaron spectra and edge singularities for correlated flat bands

Polymeric piezoelectric accelerometers with high sensitivity, broad bandwidth, and low noise density for organic electronics and wearable microsystems

Piezoelectric accelerometers excel in vibration sensing. In the emerging trend of fully organic electronic microsystems, polymeric piezoelectric accelerometers can be used as vital front-end components to capture dynamic signals, such as vocal vibrations in wearable speaking assistants for those with speaking difficulties. However, high-performance polymeric piezoelectric accelerometers suitable for such applications are rare. Piezoelectric organic compounds such as PVDF have inferior properties to their inorganic counterparts such as PZT. Consequently, most existing polymeric piezoelectric accelerometers have very unbalanced performance metrics. They often sacrifice resonance frequency and bandwidth for a flat-band sensitivity comparable to those of PZT-based accelerometers, leading to increased noise density and limited application potentials. In this study, a new polymeric piezoelectric accelerometer design to overcome the material limitations of PVDF is introduced. This new design aims to simultaneously achieve high sensitivity, broad bandwidth, and low noise. Five samples were manufactured and characterized, demonstrating an average sensitivity of 29.45 pC/g within a ± 10 g input range, a 5% flat band of 160 Hz, and an in-band noise density of 1.4 µg/Hz\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\sqrt{{Hz}}$$\\end{document}. These results surpass those of many PZT-based piezoelectric accelerometers, showing the feasibility of achieving comprehensively high performance in polymeric piezoelectric accelerometers to increase their potential in novel applications such as organic microsystems.

Ultra-narrowband and rainbow-free mid-infrared thermal emitters enabled by a flat band design in distorted photonic lattices

Most reported thermal emitters to date employing photonic nanostructures to achieve narrow bandwidth feature the rainbow effect due to the steep dispersion of the involved high-Q resonances. In this work, we propose to realize thermal emissions with high temporal coherence but free from rainbow effect, by harnessing a novel flat band design within a large range of wavevectors. This feature is achieved by introducing geometric perturbations into a square lattice of high-index disks to double the period along one direction. As a result of the first Brillouin zone halving, the guided modes will be folded to the Γ point and interact with originally existing guided-mode resonances to form a flat band of dispersion with overall high Q. Despite the use of evaporated amorphous materials, we experimentally demonstrate a thermal emission with the linewidth of 23 nm at 5.144 μm within a wide range of output angles (from −17.5° to 17.5°).

Modulating electronic structure by interlayer spacing and twist on bilayer bismuthene.

Modulation of the electronic structure has played a crucial role in advancing the field of two-dimensional materials, but there are still many unexplored directions, such as the twist angle for a novel degree of freedom, for modulating the properties of heterostructures. We observed a distinct pattern in the energy bands of bilayer bismuthene, demonstrating that modulating the twist angle and interlayer spacing significantly influences interlayer interactions. Our study of various interlayer spacings and twist angles revealed a close relationship between bandgap size and interlayer spacing, while the twist angle notably affects the shape of the energy bands. Furthermore, we observed a synergistic effect between these two factors. As the twist angle decreases, the energy bands become flat, and flat bands can be generated without requiring a specific angle on bilayer bismuthene. Our results suggest a promising way to tailor the energy band structure of bilayer 2D materials by varying the interlayer spacing and twist angle.

Classification of classical spin liquids: Detailed formalism and suite of examples

The hallmark of highly frustrated systems is the presence of many states close in energy to the ground state. Fluctuations between these states can preclude the emergence of any form of order and lead to the appearance of spin liquids. Even on the classical level, spin liquids are not all alike: they may have algebraic or exponential correlation decay, and various forms of long wavelength description, including vector or tensor gauge theories. Here, we introduce a classification scheme, allowing us to fit the diversity of classical spin liquids (CSLs) into a general framework as well as predict and construct new kinds. CSLs with either algebraic or exponential correlation-decay can be classified via the properties of the bottom flat band(s) in their soft-spin Hamiltonians. The classification of the former is based on the algebraic structures of gapless points in the spectra, which relate directly to the emergent generalized Gauss's laws that control the low-temperature physics. The second category of CSLs, meanwhile, are classified by the fragile topology of the gapped bottom band(s). Utilizing the classification scheme we construct new models realizing exotic CSLs, including one with anisotropic generalized Gauss's laws and charges with subdimensional mobility, one with a network of pinch-line singularities in its correlation functions and a series of fragile topological CSLs connected by zero-temperature transitions. Published by the American Physical Society 2024

Large quantum anomalous Hall effect in spin-orbit proximitized rhombohedral graphene

The quantum anomalous Hall effect (QAHE) is a robust topological phenomenon that features quantized Hall resistance at zero magnetic field. We report the QAHE in a rhombohedral pentalayer graphene-monolayer tungsten disulfide (WS 2 ) heterostructure. Distinct from other experimentally confirmed QAHE systems, this system has neither magnetic element nor moiré superlattice effect. The QAH states emerge at charge neutrality and feature Chern numbers C = ±5 at temperatures of up to about 1.5 kelvin. This large QAHE arises from the synergy of the electron correlation in intrinsic flat bands of pentalayer graphene, the gate-tuning effect, and the proximity-induced Ising spin-orbit coupling. Our experiment demonstrates the potential of crystalline two-dimensional materials for intertwined electron correlation and band topology physics and may enable a route for engineering chiral Majorana edge states.

Pressure‐Driven Intrinsic Quantum Confinement and Semiconducting‐to‐Metallic Transition in the Topological Flat Bands Kagome Nb3Cl8 Compounds

AbstractNb3Cl8 is a unique subset of 2D crystalline materials renowned for their Kagome structure and distinctive flat energy bands. These bands contribute to the distinct electronic behavior, rendering Nb3Cl8 a compelling subject for study. In this study, by employing ab initio calculations, the impact of pressure on the electronic properties of Nb3Cl8is scrutinized, yielding valuable insights. Under high pressures, Nb3Cl8 undergoes a transition from a semiconductor state (with a 1.23 eV bandgap) to a metallic one, accompanied by electronic band restructuration. Notably, the flat energy bands are suppressed with increasing pressure. Furthermore, this investigation underscores the distinctive nature of flat energy bands in Nb3Cl8, delving into quantum effects, particularly their association with the quantum confinement of electronic states. The confinement of charge carriers in Nb3Cl8 results in discrete energy levels, corresponding to specific orbitals in the density of states, indicating robust electron confinement. Pressure‐induced changes in the energy gap between these quantized levels suggest a decrease in confinement strength. Consequently, the study lays a robust foundation for future exploration, contributing to the development of innovative electronic devices grounded in quantum confinement effects.

Chiral limit and origin of topological flat bands in twisted transition metal dichalcogenide homobilayers

The observation of zero field fractional quantum Hall analogs in twisted transition metal dichalcogenides (TMDs) asks for a deeper understanding of what mechanisms lead to topological flat bands in two-dimensional heterostructures, and what makes TMDs an excellent platform for topologically ordered phases, surpassing twisted bilayer graphene. To this aim, we explore the chiral limits of massive Dirac theories applicable to C3-symmetric moiré materials, and show their relevance for both bilayer graphene and TMD homobilayers. In the latter, the Berry curvature of valence bands leads to relativistic corrections of the moiré potential that promote band flattening, and permit a limit with exactly flat bands with nonzero Chern number. The relativistic corrections enter as a layer-orbit coupling, analogous to spin-orbit coupling for relativistic Dirac fermions, which we show is non-negligible on the moiré scale. The Berry curvature of the TMD monolayers therefore plays an essential role in the flattening of moiré Chern bands in these heterostructures.

Role of Semiconductive Property on Selective Cementation Mechanism of Iron Oxides to Gold in Galvanic Interaction with Zero-Valent Aluminum from Gold–Copper Ammoniacal Thiosulfate Solutions

Iron oxides (hematite, Fe2O3, and magnetite, Fe3O4), previously used as electron mediators in the galvanic system with zero-valent aluminum (ZVAl), have been shown to recover Au upon cementation in Au–Cu ammoniacal thiosulfate media selectively, and this warrants further investigation. This research is focused on investigating the role of the semiconductive properties of metal oxides by performing a cementation experiment by mixing 0.15 g of electron mediators (Fe3O4, Fe2O3, TiO2 (anatase and rutile)) and 0.15 g of zero-valent aluminum powder as an electron donor in various electrochemical experiments. The results revealed that upon the cementation experiment, synthetic Fe2O3 and Fe3O4 were consistently able to selectively recover Au at around 90% and Cu at around 20%. Compared to activated carbon (AC), TiO2, in anatase and rutile forms, obtained selective recovery of gold, but the recovery was utterly insignificant compared to that of iron oxides, obtaining an average of 93% Au and 63% Cu recovery. The electrochemical and surface analysis supports the results obtained upon the cementation process, where TiO2, upon cyclic voltammetry (CV), obtained two reduction peaks centered at −1.0 V and −0.5 V assigned to reducing Au and Cu ions, respectively. Furthermore, various electrochemical impedance spectroscopic analyses revealed that the flat band potential obtained in the Mott–Schottky plot is around −1.0 V and −0.2 V for iron oxides and titanium oxides, respectively, suggesting that the electrons travel from semiconductor interface to electrolyte interface, and electrons are accessible only to Au ions in the electrolyte interface (reduction band edge around −1.0 V). The determination of this selective cementation mechanism is one of a kind. It has been proposed that the semiconductive properties of Fe2O3, Fe3O4, and, by configuring their relative energy band diagram, the travel of electrons from the iron oxide–electrolyte interface facilitate the selective cementation towards Au(S2O3)23+ ions in gold–copper ammoniacal thiosulfate solutions.

Quantum oscillations and electronic features in V1− δ Sb2 single crystals

Nonsymmorphic compounds have attracted much interest owing to their potential nontrivial electronic states. Here, we grew V1−δSb2 single crystal with a nonsymmorphic space group I4/mcm and studied their de Haas–van Alphen oscillations. Orientation-dependent magnetization showed quantum oscillations, allowing determination of the three-dimensional Fermi surface and Berry phase. Our theoretical calculation implied that VSb2's band structures manifest flat bands along the Γ–X path, Dirac band crossings near the P and N points, and in the Γ–Z direction, and nontrivial surface states along the Γ¯–Z¯ line. However, the inconsistencies in observed and calculated quantum oscillation frequencies suggest that VSb2's band structures cannot nicely account for these electronic properties of our samples. This study reveals the profound impact of V vacancies on VSb2's electronic states, implying the possible topological quantum phase transition via defect engineering.

Nernst and seebeck effects in α−T3 lattice

By using the tight-binding Hamiltonian and non-equilibrium Green’s function methods, the Seebeck and Nernst effects of α−T3 lattice are investigated, in which the lattice interpolates between graphene and the dice lattice via the parameter α. For α = 0 (graphene), flat bands are always present in the band structure. The Seebeck and Nernst coefficients are consistent with those in graphene. When α is non-zero at zero magnetic field, the Seebeck coefficient is an odd function of the Fermi energy. It produces a very large and wide first peak within the band gap for the zigzag boundary. Under the influence of magnetic fields, the first peak of the Seebeck coefficient in the gap region increases with α increasing. The Nernst effect occurs under the influence of a magnetic field. The height of the zeroth peak of the Nernst coefficient increases with α increasing. When α reaches a certain value, the zeroth peak splits. The post-split peak decreases with α increasing for the zigzag boundary, but continues to become wider and higher for the armchair boundary.

Observation of dichotomic field-tunable electronic structure in twisted monolayer-bilayer graphene

Twisted bilayer graphene (tBLG) provides a fascinating platform for engineering flat bands and inducing correlated phenomena. By designing the stacking architecture of graphene layers, twisted multilayer graphene can exhibit different symmetries with rich tunability. For example, in twisted monolayer-bilayer graphene (tMBG) which breaks the C2z symmetry, transport measurements reveal an asymmetric phase diagram under an out-of-plane electric field, exhibiting correlated insulating state and ferromagnetic state respectively when reversing the field direction. Revealing how the electronic structure evolves with electric field is critical for providing a better understanding of such asymmetric field-tunable properties. Here we report the experimental observation of field-tunable dichotomic electronic structure of tMBG by nanospot angle-resolved photoemission spectroscopy (NanoARPES) with operando gating. Interestingly, selective enhancement of the relative spectral weight contributions from monolayer and bilayer graphene is observed when switching the polarity of the bias voltage. Combining experimental results with theoretical calculations, the origin of such field-tunable electronic structure, resembling either tBLG or twisted double-bilayer graphene (tDBG), is attributed to the selectively enhanced contribution from different stacking graphene layers with a strong electron-hole asymmetry. Our work provides electronic structure insights for understanding the rich field-tunable physics of tMBG.

Disordered Layers and Dimerization in the Crystal Structure of TaOCl2

Understanding the properties of transition metal materials requires consideration of the competition between the various types of electrons that comprise the system, whether they be delocalized and metallic, localized and magnetic, or localized and bonded. Here we report the refined crystal structure determination and physical properties of the two-dimensional layered compound TaOCl2. Within each layer we find a strong in-plane dimerization of Ta atoms perpendicular to the Ta-O-Ta chains, with significant disorder in the positioning of dimers in adjacent layers, suggesting that the free electron of each Ta localizes in Ta-Ta bonds. This is supported by resistivity measurements (ρ300K = 4.4*108 Ω-cm) as well as featureless, temperature-independent magnetic susceptibility up to T = 750 K. Analysis of the phonon contribution to specific heat shows the presence of a localized Einstein mode with TE = 175 K, attributed to the localized vibrations of the Ta-Ta dimers. Density functional theory calculations show that the magnitude of the Ta displacements (0.24 Å) has a dramatic effect on the electronic structure, changing from a metal with a bandwidth of 3.2 eV to an insulator with a flat band just below EF. Our results show how direct exchange interactions between Ta atoms that are relatively far from each other can still play a central role in the behavior of 5d transition metal compounds, taking advantage of the extended 5d atomic orbitals, and produce localized dimers with a bond distance of approximately 2.84 Å.

Enhanced photovoltaic performance of dye sensitized solar cells using cesium bromide modified TiO2 electron transport layer

TiO2 is one of the most widely explored materials as an electron transport layer (ETL) in dye sensitized solar cells (DSSCs) due to its excellent physical and chemical properties. However, recombination at the device's interface slackens the charge carrier movement, adversely affecting their device performance. Rapid extraction of photogenerated charge carriers plays a vital role in developing high efficiency DSSCs. The conduction band alignment of TiO2 ETL and N719 dye light absorber plays a crucial role in charge carrier dynamics of DSSCs. Herein, the band structure of TiO2 ETL is finely tuned by the incorporation of cesium bromide (CsBr). At the optimal concentration (0.4 Wt. %), DSSCs achieved the best power conversion efficiency (PCE) of 9.28 % compared to 7.61 % for pristine TiO2. The modified TiO2–CsBr ETL induced a negative shift in flat band potential (Vfb) from −0.46 to −0.50 V, which improved the open circuit voltage (VOC), its work function (ɸ) from −4.71 to −3.75 eV and increased conduction band minimum (CBM) from −3.58 to −2.42 eV. CsBr incorporation increased electron density in TiO2 matrix, indicating the suppression of trap state and significantly improved the overall photovoltaic performance of DSSCs.

Photoelectrochemical Properties of Chemical Bath Deposited CdNiSe Thin Films

The chemical bath deposition approach was used to prepare Cd1−xNixSe thin film photoelectrodes on a substrate made of stainless-steel plate. The constructed cell has the configuration: p-CdNiSe | NaOH (1M)+S (1M)+Na2S (1M) | C (graphite). Studying current-voltage characteristics in the dark, capacitance–voltage in the dark, barrier-height measurements, power output, photo response, and spectral response are all part of characterizing the photoelectrochemical cell of the photoelectrodes. For the composition of Cd0.7Ni0.3Se, the junction ideality factor was determined to be minimal. It was discovered that the flat band potential and barrierheight was 710 mV and 0.181 eV respectively. The power output characteristic reveals that, for composition x = 0.3, the short circuit current, open circuit voltage, conversion efficiency and fill factor are respectively, 161 μA/cm2, 260 mV, 0.64% and 48.11%. The greatest current recorded at 725 nm is displayed in the spectral response.

Magneto-plasmon of AA-stacked bilayer graphene nanoribbons at finite temperature

Magneto-band structures of AA-stacked bilayer graphene nanoribbons with armchair and zigzag (BLAGNR and BLZGNR) edges are calculated by the pz-orbital tight-binding model. At zero field, BLAGNR is a semiconductor or metal determined by its width. Magnetic field can reduce band-gap and exhibit crossing bands. For metallic BLZGNRs, crossing bands shift and parabolic bands are separated more widely with magnetic field; however, partial flat bands keep unchanged. Temperature significantly increases plasmon frequency and strength for semiconducting BLAGNRs, but slightly affects those of metallic BLAGNRs and BLZGNRs. Magnetic field, for gapped BLAGNRs, can effectively reduce the threshold temperature for inducing plasmon. Whether magneto-plasmon frequency and critical momentum of dispersion relation increase or decrease is strongly sensitive to nanoribbon’s geometry. Field-modulated plasmons with a wide range of frequency could provide potential applications in waveguides and optical sensors.

Chern mosaic and ideal flat bands in equal-twist trilayer graphene

Chern mosaic and ideal flat bands in equal-twist trilayer graphene

Local gate control of Mott metal-insulator transition in a 2D metal-organic framework

Electron-electron interactions in materials lead to exotic many-body quantum phenomena, including Mott metal-insulator transitions (MITs), magnetism, quantum spin liquids, and superconductivity. These phases depend on electronic band occupation and can be controlled via the chemical potential. Flat bands in two-dimensional (2D) and layered materials with a kagome lattice enhance electronic correlations. Although theoretically predicted, correlated-electron Mott insulating phases in monolayer 2D metal-organic frameworks (MOFs) with a kagome structure have not yet been realised experimentally. Here, we synthesise a 2D kagome MOF on a 2D insulator. Scanning tunnelling microscopy (STM) and spectroscopy reveal a MOF electronic energy gap of ∼200 meV, consistent with dynamical mean-field theory predictions of a Mott insulator. Combining template-induced (via work function variations of the substrate) and STM probe-induced gating, we locally tune the electron population of the MOF kagome bands and induce Mott MITs. These findings enable technologies based on electrostatic control of many-body quantum phases in 2D MOFs.