We present a structural analysis of the graphene/Ru(0001) system obtained by surface x-ray diffraction. The data were fit using Fourier-series expanded displacement fields from an ideal bulk structure, plus the application of symmetry constraints. The shape of the observed superstructure rods proves a reconstruction of the substrate, induced by strong bonding of graphene to ruthenium. Both the graphene layer and the underlying substrate are corrugated, with peak-to-peak heights of (0.82 +/- 0.15) A and (0.19 +/- 0.02) A for the graphene and topmost Ru-atomic layer, respectively. The Ru-corrugation decays slowly over several monolayers into the bulk. The system also exhibits chirality, whereby in-plane rotations of up to 2.0 degrees in those regions of the superstructure where the graphene is weakly bound are driven by elastic energy minimization.
The Moiré structure of epitaxial graphene mono layer grown on 6H-SiC(0001) has been investigated recently by grazing incidence fast atom diffraction, and the results were compared with the calculation of the structure \textit{ab initio} and exact diffraction codes. We review these results and present a complementary approach using the Hard Wall Model to extract information without any \textit{a priori}. Reversely, taking advantage of previous exact calculations we evaluate quantitatively the performance of this simplified approach by comparing predictions using the same potential energy surfac…
The electromagnetic radiation of electrons in the corrugated graphene in the presence of the transport electric current in the ballistic regime is studied. Radiation of the similar nature can be observed in undulator and wiggler. We considered here an impact of the ripples in the monolayer graphene on its electromagnetic properties. The electromagnetic radiation was actually calculated with a use of the standard electromagnetic theory. Two cases, of regular and random structures are analyzed. Nonlinear relation between the random height function h(x,y) and the gauge field is shown to create th…
In graphene based materials, the energy storage capacity is usually improved by rich porous structures with extremely high surface area. By utilizing surface corrugations, this work shows an alternative strategy to activate graphene materials for large capacitance. We demonstrate how to simply fabricate such activated graphene and how these surface structures helped to realize considerable specific capacitance (e.g., electrode capacitance of ~340 F g-1 at 5 mV s-1 and device capacitance of ~ 343 F g-1 at 1.7 A g-1) and power performance (e.g., power density of 50 and 2500 W kg-1 at the energy …
The ability to engineer the electronic band structure and, more strikingly, to access new exotic phase of matter has been the cornerstone of the advance of science and technology. Twisting van der Waals materials to form moiré superlattice is a powerful paradigm and can drive graphene from a normal metallic state into an insulating, superconducting, or ferromagnetic states. Here, we present a new route to create non-trivial band structure and consequently an exotic phase of matter via lithographically patterned strain (lattice deformation). This method is used to realize an artificially corrug…
Theoretical research has predicted that ripples of graphene generates effective gauge field on its low energy electronic structure and could lead to zero-energy flat bands, which are the analog of Landau levels in real magnetic fields. Here we demonstrate, using a combination of scanning tunneling microscopy and tight-binding approximation, that the zero-energy Landau levels with vanishing Fermi velocities will form when the effective pseudomagnetic flux per ripple is larger than the flux quantum. Our analysis indicates that the effective gauge field of the ripples results in zero-energy flat …
Propagating edge and interfacial states in corrugated graphene: Robustness and configurability
University of Science and Technology Houari Boumediene（哈乌阿里·布麦迪内科技大学）；Ecole Supérieure des Sciences des Aliments et des Industries Agroalimentaires（食品科学与食品工业高等学院）；The University of Hong Kong（香港大学）；Ohio University（俄亥俄大学）
Silicon represents a common intrinsic impurity in graphene, commonly bonding to either three or four carbon neighbors respectively in a single or double carbon vacancy. We investigate the effect of the latter defect (Si-C$_4$) on the structural and electronic properties of graphene using density functional theory (DFT). Calculations based both on molecular models and with periodic boundary conditions have been performed. The two-carbon vacancy was constructed from pyrene (pyrene-2C) which was then expanded to circumpyrene-2C. The structural characterization of these cases revealed that the gro…
Unit cell of graphene on Ru(0001): a 25 x 25 supercell with 1250 carbon atoms
使用表面X射线衍射研究了Ru（0001）上单层石墨烯的结构。已经确定了令人惊讶的超结构，其中25 X 25石墨烯晶胞位于Ru的23 X 23晶胞上。每个超晶胞包含2 × 2个晶体学上不等价的亚晶胞。超结构棒中的强强度振荡表明Ru衬底也显著地波纹化为几个单层，并且石墨烯和Ru之间的键合是强的，并且不能由范德华键引起。从Ru衬底到石墨烯的电荷转移扩展并削弱了C-C键，这有助于适应面内拉伸应力。这种超结构的阐明为石墨烯作为纳米团簇阵列模板的潜在应用提供了重要信息。
The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of substrate, are investigated by first-principles calculations. The six-layered substrate, corrugated buffer layer, and slightly deformed monolayer graphene are all simulated. Adatom arrangements are thoroughly studied by analyzing the ground-state energies, bismuth adsorption energies, and Bi-Bi interaction energies of different adatom heights, inter-adatom distance, adsorption sites, and hexagonal positions. A hexagonal array of Bi atoms is dominated by the interactions between the buffe…
Using highly controlled coverages of graphene on SiC(0001), we have studied the structure of the first graphene layer that grows on the SiC interface. This layer, known as the buffer layer, is semiconducting. Using x-ray reflectivity and x-ray standing waves analysis we have performed a comparative study of the buffer layer structure with and without an additional monolayer graphene layer above it. We show that no more than 26\% of the buffer carbon is covalently bonded to Si in the SiC interface. We also show that the top SiC bilayer is Si depleted and is the likely the cause of the incommens…
Epitaxial graphene grown on metallic substrates presents, in several cases, a long-range periodic structure due to a lattice mismatch between the graphene and the substrate. For instance, graphene grown on Ir(111), displays a corrugated supercell with distinct adsorption sites due to a variation of its local electronic structure. This type of surface reconstruction represents a challenging problem for a detailed atomic surface structure determination for experimental and theoretical techniques. In this work, we revisited the surface structure determination of graphene on Ir(111) by using the u…
We discuss the chiral decomposition of non-symmetric stacking structures. It is shown that the low-energy electronic structure of Bernal stacked graphene multilayer deposited on h-BN consists of chiral pseudospin doublets. N-layer graphene stocks on h-BN layer have N/2 effective bilayer graphene systems and one effective h-BN layer if N is even or (N-1)/2 effective graphene bilayers plus one graphene monolayer modified by h-BN layer if N is odd. We present the decomposition procedure and we derive the recurrence relations for the effective parameters characterizing the chiral subsystems. The e…
Graphene, as an atomic-thick ultrasoft membrane, almost has no resistance against out-of-plane deformations and, therefore, it is always wrinkled to a certain degree. Recently, corrugated structures and their effects on the electronic properties of monolayer graphene have been studied extensively. However, similar experimental studies in bilayer graphene have yet to be reported. Here, we show that corrugations in bilayer graphene can generate incommensurate stacking solitons (domain walls) between commensurate Bernal-stacked domains. By using scanning tunneling microscopy, we microscopically s…
Chiral graphene nanoribbons are extremely interesting structures due to their low bandgaps and potential development of spin-polarized edge states. Here, we study their band structure on low work function silver surfaces and assess the effect of charge transfer on their properties.
We analyse the electronic and optical properties of graphene quantum dots (GQD) using accurate \textit{ab initio} many-body $GW$ and Bethe-Salpeter calculations. We show that most pristine GQD, including structures with irregular shapes, are characterized by dark low energy singlet excitations that quench fluorescence. We rationalizqe this property by exploiting the chiral symmetry of the low energy electronic states in graphene. Edge \textit{sp}$^3$ functionalization is shown to efficiently brighten these low lying excitations by distorting the \textit{sp}$^2$ backbone planar symmetry. Such f…
Topology concepts have significantly deepened of our understanding in recent years of the electronic properties of one-dimensional (1D) nano structures such as the graphene nanoribbons. Controlling topological electronic properties of GNRs has been demonstrated in both theoretical studies and experimental realization. Most previous works rely on classification theory requiring both time reversal and spatial symmetry of a unit cell in the 1D bulk material that is commensurate to its boundary. To access boundary structures that lead to unit cell with no spatial symmetry and to generalize the the…
Chirally stacked $N$-layer graphene is a semimetal with $\pm p^N$ band-touching at two nonequivalent corners in its Brillioun zone. We predict that an off-resonant circularly polarized light (CPL) drives chirally stacked $N$-layer graphene into a Floquet Chern Insulators (FCIs), a.k.a. quantum anomalous Hall insulators, with tunable high Chern number $C_F=\pm N$ and large gaps. A topological phase transition between such a FCI and a valley Hall (VH) insulator with high valley Chern number $C_v=\pm N$ induced by a voltage gate can be engineered by the parameters of the CPL and voltage gate. We …
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…
Chiral Light-Matter Interactions with Thermal Magnetoplasmons in Graphene Nanodisks
University of Southern Denmark（南丹麦大学）；POLIMA—Center for Polariton-driven Light–Matter Interactions, University of Southern Denmark（极化子驱动光-物质相互作用中心，南丹麦大学）；Danish Institute for Advanced Study, University of Southern Denmark（丹麦高等研究院，南丹麦大学）；Instituto de Química Física Blas Cabrera (IQF), CSIC（布拉斯·卡布雷拉物理化学研究所，西班牙国家研究委员会）
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…
Bilayer graphene and its thicker cousins with Rhombohedral stacking have attracted considerable attention because of their susceptibility to a variety of broken chiral symmetry states. Due to large density-of-states and quantized Berry phases near their gapless band touching points, each spin-valley flavor spontaneously transfers charge between layers to yield opening of energy gaps in quasiparticle spectra and spreading of momentum-space Berry curvatures. In this article we review the development of theories that predicted such chiral symmetry breaking and classified the possible topological …
