30$^{\circ}$ twisted bilayer graphene demonstrates the quasicrystalline electronic states with 12-fold symmetry. These states are however far away from the Fermi level, which makes conventional Dirac fermion behavior dominating the low energy spectrum in this system. By using tight-binding approximation, we study the effect of external pressure and electric field on the quasicrystalline electronic states. Our results show that by applying the pressure perpendicular to graphene plane one can push the quasicrystalline electronic states towards the Fermi level. Then, the electron or hole doping of the order of $\sim$ $4\times10^{14}$ $cm^{-2}$ is sufficient for the coincidence of the Fermi level with these quasicrystalline states. Moreover, our study indicates that applying the electric field perpendicular to the graphene plane can destroy the 12-fold symmetry of these states and break the energy degeneracy of the 12-wave states, and it is easier to reach this in the conduction band than in the valence band. Importantly, the application of the pressure can recover the 12-fold symmetry of these states to some extent against the electric field. We propose a hybridization picture which can explain all these phenomena.
The interlayer coupling can be used to engineer the electronic structure of van der Waals heterostructures (superlattices) to obtain properties that are not possible in a single material. So far research in heterostructures has been focused on commensurate superlattices with a long-ranged Moiré period. Incommensurate heterostructures with rotational symmetry but not translational symmetry (in analogy to quasicrystals) are not only rare in nature, but also the interlayer interaction has often been assumed to be negligible due to the lack of phase coherence. Here we report the successful growth …
Quasicrystalline oxide interfaces by twisting SrTiO3 membranes
University of Minnesota（明尼苏达大学）；California Institute of Technology（加州理工学院）；Massachusetts Institute of Technology（麻省理工学院）；Hankuk University of Foreign Studies（韩国外国语大学）；Technical University of Denmark（丹麦技术大学）；University of Antwerpen（安特卫普大学）；Temple University（天普大学）；University of Illinois, Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Helmholtz-Zentrum Berlin für Materialien und Energie GmbH（柏林亥姆霍兹材料与能源中心）；Kyung Hee University（庆熙大学）
Electronic Reconstruction at the Quasicrystal-Moiré Crossover in Twisted Bilayer Graphene
National Cheng Kung University（国立成功大学）；Center for Quantum Frontiers of Research & Technology (QFort), National Cheng Kung University（国立成功大学量子前沿研究与技术中心）；National Taiwan University（国立台湾大学）；Center for Condensed Matter Sciences, National Taiwan University（国立台湾大学凝聚态科学中心）；Center of Atomic Initiative for New Materials, National Taiwan University（国立台湾大学原子级新材料创新中心）
In a recent letter, Ahn and Moon, et al. (2018) studied the quantum states of Dirac electrons in a two-dimensional structure realized by epitaxial growth of twisted bilayer graphene rotated exactly 30 degrees. They claim this structure to be a graphene quasicrystal with dodecagonal quasicrystalline order. However, as we show in this comment, it is not a quasicrystalline structure, but a Moire pattern.
The preparation in thin film form of the known icosahedral phase in Ti-Ni-Zr bulk alloys has been investigated as a function of substrate temperature. Films were deposited by Pulsed Laser Deposition on sapphire substrates at temperatures ranging from room temperature to 350$^\circ$C. Morphological and structural modifications have been followed by grazing incidence and $θ$-2$θ$ X-ray diffraction, transmission electron diffraction and imaging. Chemical composition has been analysed by Electron Probe Micro-Analysis. The in-depth variation of composition has been studied by Secondary Neutral Mass…
The incommensurate 30$^{\circ}$ twisted bilayer graphene (BG) possesses both relativistic Dirac fermions and quasiperiodicity with 12-fold rotational symmetry arising from the interlayer interaction [\href{https://science.sciencemag.org/content/361/6404/782}{Ahn et al., Science \textbf{361}, 782 (2018)} and \href{https://www.pnas.org/content/115/27/6928}{Yao et al., Proc. Natl. Acad. Sci. \textbf{115}, 6928 (2018)}]. Understanding how the interlayer states interact with each other is of vital importance for identifying and subsequently engineering the quasicrystalline order in the layered stru…
Using a multiscale computational approach, we probe the origin and evolution of ultraflatbands in moiré superlattices of twisted bilayer MoS$_2$, a prototypical transition metal dichalcogenide. Unlike twisted bilayer graphene, we find no unique magic angles in twisted bilayer MoS$_2$ for flatband formation. Ultraflatbands form at the valence band edge for twist angles ($θ$) close to 0$^\circ$ and at both the valence and conduction band edges for $θ$ close to 60$^\circ$, and have distinct origins. For$ θ$ close to 0$^\circ$, inhomogeneous hybridization in the reconstructed moiré superlattice is…
Recent studies show that two low-energy Van Hove singularities (VHSs) seen as two pronounced peaks in the density of states (DOS) could be induced in twisted graphene bilayer. Here, we report angle dependent VHSs of slightly twisted graphene bilayer studied by scanning tunneling microscopy and spectroscopy. We show that energy difference of the two VHSs follows \DeltaEvhs ~ \hbarνF\DeltaK between 1.0^{\circ} and 3.0^{\circ} (here νF ~ 1.1\times106 m/s is the Fermi velocity of monolayer graphene, \DeltaK = 2Ksin(θ/2) is the shift between the corresponding Dirac points of the twisted graphene bi…
Microwave assisted magnetization reversal are studied in the bulk bilayer exchange coupled system. We investigate the nonlinear magnetization reversal dynamics in a perpendicular exchange spring media using Landau-Lifshitz equation. In the limit of the infinite thickness of the system, the propagation field leads the reversal of the system. The reduction of the switching field and the magnetization profile in the extended system are studied numerically. The possibility to study the dynamics analytically is discussed and an approximation where two P-modes are coupled by an interaction field is …
We study conductance across a twisted bilayer graphene coupled to single-layer graphene leads in two setups: a flake of graphene on top of an infinite graphene ribbon and two overlapping semi-infinite graphene ribbons. We find conductance strongly depends on the angle between the two graphene layers and identify three qualitatively different regimes. For large angles ($θ\gtrsim 10^{\circ}$) there are strong commensurability effects for incommensurate angles the low energy conductance approaches that of two disconnected layers, while sharp conductance features correlate with commensurate angles…
Gapless bilayer graphene is susceptible to a variety of spontaneously gapped states. As predicted by theory and observed by experiment, the ground state is however topologically trivial, because a valley-independent gap is energetically favorable. Here, we show that under the application of interlayer electric field and circularly polarized light, one valley can be selected to exhibit the original interaction instability while the other is frozen out. Tuning this Floquet system stabilizes multiple competing topological ordered states, distinguishable by edge transport and circular dichroism. N…
Two-dimensional (2D) materials, such as molybdenum disulfide (MoS2), have been shown to exhibit excellent electrical and optical properties. The semiconducting nature of MoS2 allows it to overcome the shortcomings of zero-bandgap graphene, while still sharing many of graphene's advantages for electronic and optoelectronic applications. Discrete electronic and optoelectronic components, such as field-effect transistors, sensors and photodetectors made from few-layer MoS2 show promising performance as potential substitute of Si in conventional electronics and of organic and amorphous Si semicond…
We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commensurate supercells that correspond to twist angles of 7.34$^\circ$ and 2.45$^\circ$. From the energetics of lithium absorption we demonstrate that for low Li concentration the intercalants cluster in the AA regions with double the density of a uniform distribution. The charge donated by the Li atoms to the graphene layers results in modifications to the band structure that can be qualitatively captured using a continu…
Quantum states of quasiparticles in solids are dictated by symmetry. Thus, a discovery of unconventional symmetry can provide a new opportunity to reach a novel quantum state. Recently, Dirac and Weyl electrons have been observed in crystals with discrete translational symmetry. Here we experimentally demonstrate Dirac electrons in a two-dimensional quasicrystal without translational symmetry. A dodecagonal quasicrystal was realized by epitaxial growth of twisted bilayer graphene rotated exactly 30 degree. The graphene quasicrystal was grown up to a millimeter scale on SiC(0001) surface while …
Twisted bilayer graphene is a chiral system which has been recently shown to present circular dichroism. In this work we show that the origin of this optical activity is the rotation of the Dirac fermions' helicities in the top and bottom layer. Starting from the Kubo formula, we obtain a compact expression for the Hall conductivity that takes into account the dephasing of the electromagnetic field between the top and bottom layers and gathers all the symmetries of the system. Our results are based in both a continuum and a tight-binding model, and they can be generalized to any two-dimensiona…
We investigate in this paper the origin of perpendicular anisotropy in Co (1.6 nm)/Pt (3.0 nm) bilayers grown on alumina and annealed up to 650$^{\circ}$C. Above 350$^{\circ}$C, all layers exhibit perpendicular anisotropy. Then coercive fields increase linearly with annealing temperature following two different rates: 0.05 T/100$^{\circ}$C below 550$^{\circ}$C and 0.8 T/100$^{\circ}$C above. By making careful structural characterizations using x-ray diffraction and transmission electron microscopy, we demonstrate the presence of short range correlation of L1$_{1}$ type below 550$^{\circ}$C whe…
We study the stability and electronic structure of magic-angle twisted bilayer graphene on the hexagonal boron nitride (TBG/BN). Full relaxation has been performed for commensurate supercells of the heterostructures with different twist angles ($θ'$) and stackings between TBG and BN. We find that the slightly misaligned configuration with $θ' = 0.54^\circ$ and the AA/AA stacking has the globally lowest total energy due to the constructive interference of the moiré interlayer potentials and thus the greatly enhanced relaxation in its $1 \times 1$ commensurate supercell. Gaps are opened at the F…
We investigate the chirality of phonon modes in twisted bilayer WSe2 and demonstrate distinct chiral behavior of the $K/K^\prime$ valley phonons for twist angles close to $0^{\circ}$ and close to $60^{\circ}$. In particular, multiple chiral non-degenerate $K/K^\prime$ valley phonons are found for twist angles near $60^{\circ}$ whereas no non-degenerate chiral modes are found for twist angles close to $0^\circ$. Moreover, we discover two sets of emergent chiral valley modes that originate from an inversion symmetry breaking at the moiré scale and find similar modes in moiré patterns of strain-e…
Twisted bilayer graphene (tBLG) is two graphene layers placed on top of each other with a twist angle, making it has tunable thermal properties. In this paper, we report an analysis of thermal conductivity ($κ$), phonon density of states, and specific heat capacity of tBLG with various twist angles over a range of temperatures using equilibrium molecular dynamics simulations based on the Green-Kubo method. Simulation shows that stacking and twisting graphene layers lead to a decrease in the thermal conductivity, with the highest $κ$ at around room temperature owned by the tBLG with a twist ang…
We analyze the quantum Hall effect in single layer graphene with bilayer stripe defects. Such defects are often encountered at steps in the substrate of graphene grown on silicon carbide. We show that AB or AA stacked bilayer stripes result in large Hall conductivity fluctuations that destroy the quantum Hall plateaux. The fluctuations are a result of the coupling of edge states at opposite edges through currents traversing the stripe. Upon rotation of the second layer with respect to the continuous monolayer (a twisted-bilayer stripe defect), such currents decouple from the extended edge stat…
Charge carriers in bilayer graphene occupy two parabolic continua of electron-like and hole-like states which differ by the alignment between carrier pseudospin and its momentum, the property known as chirality. Due to chirality conservation, a strong confining potential can host unusual bound states: electron levels cloaked into the hole continuum. The energy levels and the wave functions of the cloaked states can be obtained by solving the Schrödinger equation for a massive non-chiral particle in the p-wave channel in two dimensions. Eventually, cloaked states slowly decay into the continuum…
We construct a continuum model for the Moiré superlattice of twisted bilayer MnBi$_2$Te$_4$, and study the band structure of the bilayer in both ferromagnetic (FM) and antiferromagnetic (AFM) phases. We find the system exhibits highly tunable Chern bands with Chern number up to $3$. We show that a twist angle of $1^\circ$ turns the highest valence band into a flat band with Chern number $\pm1$ that is isolated from all other bands in both FM and AFM phases. This result provides a promising platform for realizing time-reversal breaking correlated topological phases, such as fractional Chern ins…
We investigate the topological properties of Floquet-engineered twisted bilayer graphene above the magic angle driven by circularly polarized laser pulses. Employing a full Moiré-unit-cell tight-binding Hamiltonian based on first-principles electronic structure we show that the band topology in the bilayer, at twisting angles above 1.05$^\circ$, essentially corresponds to the one of single-layer graphene. However, the ability to open topologically trivial gaps in this system by a bias voltage between the layers enables the full topological phase diagram to be explored, which is not possible in…
A major theoretical challenge of studying twisted transition metal dichalcogenide (TMD) bilayers is that the unit cell of such structures is very large and therefore difficult to address using first-principles methods. However, twisted TMD bilayers form moiré patterns, which consist of regions of commensurate stacking, either smoothly interpolated into one another or separated by sharp domain walls. In this paper, we study twisted TMD bilayers by studying the properties of the constituent commensurate structures. Using density functional theory (DFT), we compute band structures for commensurat…
Understanding the mechanisms governing the optical activity of layered-stacked materials is crucial to the design of devices aimed at manipulating light at the nanoscale. Here, we show that both twisted and slid bilayer graphene are chiral systems that can deflect the polarization of linear polarized light. However, only twisted bilayer graphene supports circular dichroism. Our calculation scheme, which is based on the time-dependent Schrödinger equation, is particularly efficient for calculating the optical-conductivity tensor. Specifically, it allows us to show the chirality of hybridized st…
Twisted graphene bilayers provide a versatile platform to engineer metamaterials with novel emergent properties by exploiting the resulting geometric moiré superlattice. Such superlattices are known to host bulk valley currents at tiny angles ($α\approx 0.3 ^\circ$) and flat bands at magic angles ($α\approx 1^\circ$). We show that tuning the twist angle to $α^*\approx 0.8^\circ$ generates flat bands away from charge neutrality with a triangular superlattice periodicity. When doped with $\pm 6$ electrons per moiré cell, these bands are half-filled and electronic interactions produce a symmetry-…
The importance of phonons in the strong correlation phenomena observed in twisted bilayer graphene (TBG) at the so-called magic-angle is under debate. Here we apply gate-dependent micro-Raman spectroscopy to monitor the G band linewidth in TBG devices of twist angles $θ=0^{\circ}$, $\sim 1.1^{\circ}$ (magic-angle) and $\sim 7^{\circ}$ (large angle). The results show a broad and p/n-asymmetric doping behavior at the magic-angle, in clear contrast to the behavior observed in twist angles above and below. Atomistic modeling reproduces the experimental observations, revealing how the unique electr…
Realization of logic circuits in graphene with an energy gap (EG) remains one of the main challenges for graphene electronics. We found that large transport EGs (>100 meV) can be fulfilled in dual-gated bilayer graphene underneath a simple alumina passivation top gate stack, which directly contacts the graphene channels without an inserted buffer layer. With the presence of EGs, the electrical properties of the graphene transistors are significantly enhanced, as manifested by enhanced on/off current ratio, subthreshold slope and current saturation. For the first time, complementary-like semico…
Coherent control of optically-injected carrier distributions in single and bilayer graphene allows the injection of electrical currents. Using a tight-binding model and Fermi's golden rule, we derive the carrier and photocurrent densities achieved via interference of the quantum amplitudes for two-photon absorption at a fundamental frequency, $ω$, and one-photon absorption at the second harmonic, $2ω$. Strong currents are injected under co-circular and linear polarizations. In contrast, opposite-circular polarization yields no net current. For single-layer graphene, the magnitude of the curren…
Twisted bilayer graphene (TBG) exhibits fascinating correlation-driven phenomena like the superconductivity and Mott insulating state, with flat bands and a chiral lattice structure. We find by quantum transport calculations that the chirality leads to a giant unidirectional magnetoresistance (UMR) in TBG, where the unidirectionality refers to the resistance change under the reversal of the direction of the current or magnetic field. We point out that flat bands significantly enhance this effect. The UMR increases quickly upon reducing the twist angle and reaches about 20\% for an angle of 1.5…
We study the influence of strong spin-orbit interaction on the formation of flat bands in relaxed twisted bilayer WSe$_2$. Flat bands, well separated in energy, emerge at the band edges for twist angles ($θ$) near 0$^{\circ}$ and 60$^{\circ}$. For $θ$ near 0$^{\circ}$, the interlayer hybridization together with a moiré potential determines the electronic structure. The bands near the valence band edge have nontrivial topology, with Chern numbers equal to +1 or $-$1. We propose that the nontrivial topology of the first band can be probed experimentally for twist angles less than a critical angl…
We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable energy gap at the charge point neutrality that we assign to the intrinsic symmetric polarization (ISP). We then introduce the ISP effect into the tight-binding parameterization and perform calculations on TDBG models that include lattice relaxation effects down to very small twist angles. We identify a narrow region around the magic angle $θ^\circ = 1.3^{\circ}…
Ultraflat bands in twisted bilayers of two-dimensional materials have potential to host strong correlations, including the Mott-insulating phase at half-filling of the band. Using first principles density functional theory calculations, we show the emergence of ultraflat bands at the valence band edge in twisted bilayer MoS$_2$, a prototypical transition metal dichalcogenide. The computed band widths, 5 meV and 23 meV for 56.5$^\circ$ and 3.5$^\circ$ twist angles respectively, are comparable to that of twisted bilayer graphene near 'magic' angles. Large structural transformations in the Moiré …
We report an exchange bias of more than $2700\,$Oe at room temperature in MnN/CoFe bilayers after high-temperature annealing. We studied the dependence of exchange bias on the annealing temperature for different MnN thicknesses in detail and found that samples with $t_{\text{MnN}}>32\,$nm show an increase of exchange bias for annealing temperatures higher than $T_{\text{A}}=400\,^{\circ}$C. Maximum exchange bias values exceeding $2000\,$Oe with reasonably small coercive fields around $600\,$Oe are achieved for $t_{\text{MnN}}= 42, 48\,$nm. The median blocking temperature of those systems is de…
We propose a tunable optical setup to engineer topologically nontrivial flat bands in twisted bilayer graphene under circularly polarized light. Using both analytical and numerical calculations, we demonstrate that nearly flat bands can be engineered at small twist angles near the magic angles of the static system. The flatness and the gaps between these bands can be tuned optically by varying laser frequency and amplitude. We study the effects of interlayer hopping variations on Floquet flat bands and find that lattice relaxation favors their formation. Furthermore, we find that, once formed,…
Commensurable twisted bilayers can drastically change the magnetic properties of chromium trihalide layered compounds, which opens novel opportunities for tuning magnetic states through layer rotations. Here, we introduce a mathematical approach to obtain moiré patterns in twisted hexagonal bilayers by performing a certain commensurable rotation $θ$ over one layer. To test our approach, we apply it to find moiré structures with $θ=21.79^{\circ}$ and $32.20^{\circ}$ in the phases R$\bar{3}$ and C2/m of CrI$_{3}$. For comparison purposes, we also consider a non-shifted CrI$_{3}$ structure. Elect…
Twisted van der Waals heterostructures unravel a new platform to study strongly correlated quantum phases. The interlayer coupling in these heterostructures is sensitive to twist angles ($θ$) and key to controllably tune several exotic properties. Here, we demonstrate a systematic evolution of the interlayer coupling strength with twist angle in bilayer $\mathrm{MoS_{2}}$ using a combination of Raman spectroscopy and classical simulations. At zero doping, we show a \textit{monotonic} increment of the separation between the $\mathrm{A_{1g}}$ and $\mathrm{E^{1}_{2g}}$ mode frequencies as $θ$ dec…
The tunability of the interlayer coupling by twisting one layer with respect to another layer of two-dimensional materials provides a unique way to manipulate the phonons and related properties. We refer to this engineering of phononic properties as "Twistnonics". We study the effects of twisting on low-frequency shear (SM) and layer breathing (LBM) modes in transition metal dichalcogenide (TMD) bilayer using atomistic classical simulations. We show that these low-frequency modes are extremely sensitive to twist and can be used to infer the twist angle. We find unique "ultra-soft" phason modes…
Hybridization-controlled re-entrant electronic phase switching and moire-confined states in twisted bilayer PtTe2
Kyung Hee University（庆熙大学）；Korea Institute of Science and Technology Information (KISTI)（韩国科学技术信息研究院）；The Anthony J Leggett Institute for Condensed Matter Theory, Department of Physics, University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校物理学院安东尼·J·雷格特凝聚态理论研究所）
Experiments on bilayer graphene unveiled a fascinating realization of stacking disorder where triangular domains with well-defined Bernal stacking are delimited by a hexagonal network of strain solitons. Here we show by means of numerical simulations that this is a consequence of a structural transformation of the moiré pattern inherent of twisted bilayer graphene taking place at twist angles $θ$ below a crossover angle $θ^{\star}=1.2^{\circ}$. The transformation is governed by the interplay between the interlayer van der Waals interaction and the in-plane strain field, and is revealed by a ch…
Atomically thin transition metal dichalcogenides (TMDs) possess coupling of spin and valley degrees of freedom, making them promising for spin-valleytronics. ln monolayer TMDs, the emission helicity is locked to the valleys as a consequence of spin-orbit coupling and inversion symmetry breaking, leading to a valley analog of Zeeman effect in presence of out-of-plane magnetic field. As inversion symmetry is recovered in bilayers, the emission helicity should no longer be locked to the valleys. Here we show that Zeeman splitting, however, still persists in bilayers, as a result of an additional …
Moiré superlattices of two-dimensional (2D) materials with a small twist angle are thought to exhibit appreciable flexoelectric effect, though unambiguous confirmation of their flexoelectricity is challenging due to artifacts associated with commonly used piezoresponse force microscopy (PFM). For example, unexpectedly small phase contrast ($\sim$$8^{\circ}$) between opposite flexoelectric polarizations was reported in twisted bilayer graphene (tBG), though theoretically predicted value is $180^{\circ}$. Here we developed a methodology to extract intrinsic moiré flexoelectricity using twisted d…
Ferrites with (inverse) spinel structure display a large variety of electronic and magnetic properties making some of them interesting for potential applications in spintronics. We investigate the thermally induced interdiffusion of Ni$^{2+}$ ions out of NiO into Fe$_3$O$_4$ ultrathin films resulting in off-stoichiometric nickelferrite-like thin layers. We synthesized epitaxial Fe$_3$O$_4$/NiO bilayers on Nb-doped SrTiO$_3$(001) substrates by means of reactive molecular beam epitaxy. Subsequently, we performed an annealing cycle comprising three steps at temperatures of 400\,$^{\circ}$C, 600\,…
We study how the electronic structure of the bilayer graphene (BLG) is changed by electric field and strain from {\it ab initio} density-functional calculations using the LMTO and the LAPW methods. Both hexagonal and Bernal stacked structures are considered. The BLG is a zero-gap semiconductor like the isolated layer of graphene. We find that while strain alone does not produce a gap in the BLG, an electric field does so in the Bernal structure but not in the hexagonal structure. The topology of the bands leads to Dirac circles with linear dispersion in the case of the hexagonally stacked BLG …
The study of higher-order and real topological states as well as the material realization have become a research forefront of topological condensed matter physics in recent years. Twisted bilayer graphene (tbG) is proved to have higher-order and real topology. However whether this conclusion can be extended to other two-dimensional twisted bilayer carbon materials and the mechanism behind it lack explorations. In this paper, we identify the twisted bilayer $α$-graphyne (tbGPY) at large twisting angle as a real Chern insulator (also known as Stiefel-Whitney insulator) and a second-order topolog…
We study the effects of heterostrain on moiré bands in twisted bilayer graphene and bilayer transition metal dichalcogenide (TMD) systems. For bilayer graphene with twist angle near $1^\circ$, we show that heterostrain significantly increases the energy separation between conduction and valence bands as well as the Dirac velocity at charge neutrality, which resolves several puzzles in scanning tunneling spectroscopy and quantum oscillation experiments at once. For bilayer TMD, we show that applying small heterostrain generally leads to flat moiré bands that are highly tunable.
