arXiv subjects

L. Magaud

Publications and source records attributed to L. Magaud.

13 recordsLinked to original sources

arXiv2015

Cleaning graphene : a first quantum/classical molecular dynamics approach

Graphene outstanding properties created a huge interest in the condensed matter community and unprecedented fundings at the international scale in the hope of application developments. Recently, there have been several reports of incomplete removal of the polymer resists used to transfer as-grown graphene from one substrate to another, resulting in altered graphene transport properties. Finding a large-scale solution to clean graphene from adsorbed residues is highly desirable and one promising possibility would be to use hydrogen plasmas. In this spirit, we couple here quantum and classical molecular dynamics simulations to explore the kinetic energy ranges required by atomic hydrogen to selectively etch a simple residue, a CH3 group, without irreversibly damaging the graphene. For incident energies in the 2-15 eV range, the CH3 radical can be etched by forming a volatile CH4 compound which leaves the surface, either in the CH4 form or breaking into CH3+H fragments, without further defect formation. At this energy, adsorption of H atoms on graphene is possible and further annealing will be required to recover pristine graphene.

cond-mat.mtrl-sci↗

arXiv2014

Induced Superconductivity in Graphene Grown on Rhenium

We report a new way to strongly couple graphene to a superconductor. The graphene monolayer has been grown directly on top of a superconducting Re(0001) thin film and characterized by scanning tunneling microscopy and spectroscopy. We observed a moiré pattern due to the mismatch between Re and graphene lattice parameters that we have simulated with ab initio calculations. The density of states around the Fermi energy appears to be position dependent on this moiré pattern. Tunneling spectroscopy performed at 50 mK shows that the superconducting behavior of graphene on Re is well described by the Bardeen-Cooper-Schrieffer theory and stands for a very good interface between the graphene and its metallic substrate.

cond-mat.mes-hall↗

arXiv2012

Impact of local stacking on the graphene-impurity interaction: theory and experiments

We investigate the graphene-impurity interaction problem by combining experimental - scanning tunneling microscopy (STM) and spectroscopy (STS) - and theoretical - Anderson impurity model and density functional theory (DFT) calculations - techniques. We use graphene on the SiC(000-1)(2x2)_C reconstruction as a model system. The SiC substrate reconstruction is based on silicon adatoms. Graphene mainly interacts with the dangling bonds of these adatoms which act as impurities. Graphene grown on SiC(000-1)(2x2)_C shows domains with various orientations relative to the substrate so that very different local graphene/Si adatom stacking configurations can be probed on a given grain. The position and width of the adatom (impurity) state can be analyzed by STM/STS and related to its local environment owing to the high bias electronic transparency of graphene. The experimental results are compared to Anderson's model predictions and complemented by DFT calculations for some specific local environments. We conclude that the adatom resonance shows a smaller width and a larger shift toward the Dirac point for an adatom at the center of a graphene hexagon than for an adatom just on top of a C graphene atom.

cond-mat.mes-hall↗

arXiv2012

Numerical studies of confined states in rotated bilayers of graphene

Rotated graphene multilayers form a new class of graphene related systems with electronic properties that drastically depend on the rotation angles. It has been shown that bilayers behave like two isolated graphene planes for large rotation angles. For smaller angles, states in the Dirac cones belonging to the two layers interact resulting in the appearance of two van Hove singularities. States become localised as the rotation angle decreases and the two van Hove singularities merge into one peak at the Dirac energy. Here we go further and consider bilayers with very small rotation angles. In this case, well defined regions of AA stacking exist in the bilayer supercell and we show that states are confined in these regions for energies in the [-γ_t, +γ_t] range with γ_t the interplane mean interaction. As a consequence, the local densities of states show discrete peaks for energies different from the Dirac energy.

cond-mat.mes-hall↗

arXiv2012

Unravelling the intrinsic and robust nature of van Hove singularities in twisted bilayer graphene

Extensive scanning tunnelling microscopy and spectroscopy experiments complemented by first principles and parameterized tight binding calculations provide a clear answer to the existence, origin and robustness of van Hove singularities (vHs) in twisted graphene layers. Our results are conclusive: vHs due to interlayer coupling are ubiquitously present in a broad range (from 1{\deg} to 10{\deg}) of rotation angles in our graphene on 6H-SiC(000-1) samples. From the variation of the energy separation of the vHs with rotation angle we are able to recover the Fermi velocity of a graphene monolayer as well as the strength of the interlayer interaction. The robustness of the vHs is assessed both by experiments, which show that they survive in the presence of a third graphene layer, and calculations, which test the role of the periodic modulation and absolute value of the interlayer distance. Finally, we clarify the origin of the related moir\'e corrugation detected in the STM images.

cond-mat.mes-hall↗

arXiv2011

Graphene on the carbon face of SiC: electronic structure modification by hydrogen intercalation

It has been shown that the first C layer on the SiC(0001)(2{\times}2)C surface already exhibits graphene-like electronic structure, with linear pi bands near the Dirac point. Indeed, the (2{\times}2)C reconstruction, with a Si adatom and C restatom structure, efficiently passivates the SiC(0001) surface thanks to an adatom/restatom charge transfer mechanism. Here, we study the effects of interface modifications on the graphene layer using density functional theory calculations. The modifications we consider are inspired from native interface defects observed by scanning tunneling microscopy. One H atom per 4 {\times} 4 SiC cell (5 {\times} 5 graphene cell) is introduced in order to saturate a restatom dangling bond and hinder the adatom/restatom charge transfer. As a consequence, the graphene layer is doped with electrons from the substrate and the interaction with the adatom states slightly increases. Native interface defects are therefore likely to play an important role in the doping mechanism on the C terminated SiC substrates. We also conclude that an efficient passivation of the C face of SiC by H requires a complete removal of the reconstruction. Otherwise, at variance with the Si terminated SiC substrates, the presence of H at the interface would increase the graphene/substrate interaction.

cond-mat.mes-hall↗

arXiv2009

Atomic and electronic structure of monolayer graphene on 6H-SiC(000-1)(3 x 3) : a scanning tunneling microscopy study

We present an investigation of the atomic and electronic structure of graphene monolayer islands on the 6H-SiC(000-1)(3x3) (SiC(3x3)) surface reconstruction using scanning tunneling microscopy (STM) and spectroscopy (STS). The orientation of the graphene lattice changes from one island to the other. In the STM images, this rotational disorder gives rise to various superlattices with periods in the nm range. We show that those superlattices are moiré patterns (MPs) and we correlate their apparent height with the stacking at the graphene/SiC(3x3) interface. The contrast of the MP in STM images corresponds to a small topographic modulation of the graphene layer. From STS measurements we find that the substrate surface presents a 1,5 eV wide bandgap encompassing the Fermi level. This substrate surface bandgap subsists below the graphene plane. The tunneling spectra are spatially homogeneous on the islands within the substrate surface gap, which shows that the MPs do not impact the low energy electronic structure of graphene. We conclude that the SiC(3 x 3) reconstruction efficiently passivates the substrate surface and that the properties of the graphene layer which grows on top of it should be similar to those of the ideal material.

cond-mat.mtrl-sci↗

arXiv2009

How the SiC substrate impacts graphene atomic and electronic structures

Graphene, the two-dimensional form of carbon presents outstanding electronic and transport properties. This gives hope for the development of applications in nanoelectronics. However, for industrial purpose, graphene has to be supported by a substrate. We focus here on the graphene-on-SiC system to discuss how the SiC substrate interacts with the graphene layer and to show the effect of the interface on graphene atomic and electronic structures.

cond-mat.mtrl-sci↗

arXiv2009

Graphene on the C-terminated SiC (000 $\bar{1}$) surface: An ab initio study

The atomic and electronic structures of a graphene layer on top of the $(2\times2)$ reconstruction of the SiC (000$\bar{1}$) surface are studied from ab initio calculations. At variance with the (0001) face, no C bufferlayer is found here. Si adatoms passivate the substrate surface so that the very first C layer presents a linear dispersion characteristic of graphene. A small graphene-substrate interaction remains in agreement with scanning tunneling experiments (F.Hiebel et al. {\it Phys. Rev. B} {\bf 78} 153412 (2008)). The stacking geometry has little influence on the interaction which explains the rotational disorder observed on this face.

cond-mat.mtrl-sci↗

arXiv2008

Early stage formation of graphene on the C-face of 6H-SiC

An investigation of the early stage formation of graphene on the C-face of 6H-SiC is presented. We show that the sublimation of few atomic layers of Si out of the SiC substrate is not homogeneous. In good agreement with the results of theoretical calculations it starts from defective sites, mainly dislocations that define nearly circular flakes, which have a pyramidal, volcano-like, shape with a center chimney where the original defect was located. At higher temperatures, complete conversion occurs but, again, it is not homogeneous. Within the sample surface the intensity of the Raman G and 2D bands, evidences non-homogeneous thickness.

cond-mat.mtrl-sci↗

arXiv2008

Quasiparticle Chirality in Epitaxial Graphene Probed at the Nanometer Scale

Graphene exhibits unconventional two-dimensional electronic properties resulting from the symmetry of its quasiparticles, which leads to the concepts of pseudospin and electronic chirality. Here we report that scanning tunneling microscopy can be used to probe these unique symmetry properties at the nanometer scale. They are reflected in the quantum interference pattern resulting from elastic scattering off impurities, and they can be directly read from its fast Fourier transform. Our data, complemented by theoretical calculations, demonstrate that the pseudospin and the electronic chirality in epitaxial graphene on SiC(0001) correspond to the ones predicted for ideal graphene.

cond-mat.mtrl-sci↗

arXiv2007

Ripples in epitaxial graphene

Graphene outstanding properties directly come from its pecular electronic structure and thus from the honeycomb lattice symmetry. The way interaction with the substrate impact this lattice is of primary importance. This is peculiarly true for epitaxial graphene because of the SiC substrate. The advantage of this system that produces macroscopic samples in registry with a substrate could turn to a major drawback if the graphene lattice reveals to be strongly distorted. Extensive ab initio calculations supported by Scanning Tunneling Microscopy experiments, demonstrate here that the substrate indeed induces a strong nanostructuration of the interface carbon layer. It propagates to the above C layer where it generates incommensurate ripples in the honeycomb lattice.

cond-mat.mtrl-sci↗

arXiv2007

Rotational stacking and its electronic effects on graphene films grown on 4H-SiC$(000\bar{1})$

We examine the stacking order of multilayer graphene grown on the SiC$(000\bar{1})$ surface using low-energy electron diffraction and surface X-ray diffraction. We show that the films contain a high density of rotational stacking faults caused by three types of rotated graphene: sheets rotated $30^\circ$ and $\pm 2.20^\circ$ relative to the SiC substrate. These angles are unique because they correspond to commensurate phases of layered graphene, both with itself and with the SiC substrate. {\it Ab intio} calculations show that these rotational phases electronically decouple adjacent graphene layers. The band structure from graphene at fault boundaries displays linear energy dispersion at the $K$-point (Dirac cones), nearly identical to that of a single graphene sheet.

cond-mat.mtrl-sci↗