arXiv subjects

Jean-Christophe Charlier

Publications and source records attributed to Jean-Christophe Charlier.

At least 37 records · Page 2Linked to original sources

arXiv2021

Graphene whisperitronics: transducing whispering gallery modes into electronic transport

When confined in circular cavities, graphene relativistic charge carriers occupy whispering gallery modes (WGM) in analogy to classical acoustic and optical fields. The rich geometrical patterns of the WGM decorating the local density of states offer promising perspectives to devise new disruptive quantum devices. However, exploiting these highly sensitive resonances requires the transduction of the WGMs to the outside world through source and drain electrodes, a yet unreported configuration. Here we create a circular p-n island in a graphene device using a polarized scanning gate microscope tip, and probe the resulting WGMs signatures in in-plane electronic transport through the p-n island. Combining tight-binding simulations and exact solution of the Dirac equation, we assign the measured device conductance features to WGMs, and demonstrate mode selectivity by displacing the p-n island with respect to a constriction. This work therefore constitutes a proof of concept for graphene whisperitronics devices.

cond-mat.mes-hall↗

arXiv2021

Electron-phonon coupling in a magic-angle twisted-bilayer graphene device

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 electronic structure of magic-angle TBGs influences the electron-phonon coupling and, consequently, the G band linewidth. Our findings indicate a connection between electron-phonon coupling and experimental observations of strongly correlated phenomena in magic-angle TBG.

cond-mat.mes-hall↗

arXiv2021

Controllable Spin Current in van der Waals Ferromagnet Fe3GeTe2

The control of spin current is pivotal for spintronic applications, especially for spin-orbit torque devices. Spin Hall effect (SHE) is a prevalent method to generate spin current. However, it is difficult to manipulate its spin polarization in nonmagnet. Recently, the discovery of spin current in ferromagnet offers opportunity to realize the manipulation. In the present work, the spin current in van der Waals ferromagnet Fe3GeTe2 (FGT) with varying magnetization is theoretically investigated. It has been observed that the spin current in FGT presents the nonlinear behavior with respect to magnetization. The in-plane and out-of-plane spin polarization emerges simultaneously, and the bilayer FGT can even exhibit arbitrary spin polarization thanks to the reduced symmetry. More intriguingly, the correlation between anomalous Hall effect (AHE) and spin anomalous Hall effect (SAHE) has been interpreted from the aspect of Berry curvature. This work illustrates that the interplay of symmetry and magnetism can effectively control the magnitude and spin polarization of the spin current, providing a practical method to realize exotic spin-orbit torques.

physics.comp-ph↗

arXiv2020

Lattice dynamics localization in low-angle twisted bilayer graphene

A low twist angle between the two stacked crystal networks in bilayer graphene enables self-organized lattice reconstruction with the formation of a periodic domain. This superlattice modulates the vibrational and electronic structures, imposing new rules for electron-phonon coupling and the eventual observation of strong correlation and superconductivity. Direct optical images of the crystal superlattice in reconstructed twisted bilayer graphene are reported here, generated by the inelastic scattering of light in a nano-Raman spectroscope. The observation of the crystallographic structure with visible light is made possible due to lattice dynamics localization, the images resembling spectral variations caused by the presence of strain solitons and topological points. The results are rationalized by a nearly-free-phonon model and electronic calculations that highlight the relevance of solitons and topological points, particularly pronounced for structures with small twist angles. We anticipate our discovery to play a role in understanding Jahn-Teller effects and electronic Cooper pairing, among many other important phonon-related effects, and it may be useful for characterizing devices in the most prominent platform for the field of twistronics.

cond-mat.mes-hall↗

arXiv2019

Optimizing Dirac fermions quasi-confinement by potential smoothness engineering

With the advent of high mobility encapsulated graphene devices, new electronic components ruled by Dirac fermions optics have been envisioned and realized. The main building blocks of electron-optics devices are gate-defined p-n junctions, which guide, transmit and refract graphene charge carriers, just like prisms and lenses in optics. The reflection and transmission are governed by the p-n junction smoothness, a parameter difficult to tune in conventional devices. Here we create p-n junctions in graphene, using the polarized tip of a scanning gate microscope, yielding Fabry-Pérot interference fringes in the device resistance. We control the p-n junctions smoothness using the tip-to-graphene distance, and show increased interference contrast using smoother potential barriers. Extensive tight-binding simulation reveal that smooth potential barriers induce a pronounced quasi-confinement of Dirac fermions below the tip, yielding enhanced interference contrast. On the opposite, sharp barriers are excellent Dirac fermions transmitters and lead to poorly contrasted interferences. Our work emphasizes the importance of junction smoothness for relativistic electron optics devices engineering.

cond-mat.mes-hall↗

arXiv2019

First-principles prediction of lattice coherency in van der Waals heterostructures

The emergence of superconductivity in slightly-misaligned graphene bilayer [1] and moiré excitons in MoSe$_2$-WSe$_2$ van der Waals (vdW) heterostructures [2] is intimately related to the formation of a 2D superlattice in those systems. At variance, perfect primitive lattice matching of the constituent layers has also been reported in some vdW-heterostructures [3-5], highlighting the richness of interfaces in the 2D world. In this work, the determination of the nature of such interface, from first principles, is demonstrated. To do so, an extension of the Frenkel-Kontorova (FK) model [6] is presented, linked to first-principles calculations, and used to predict lattice coherency for a set of 56 vdW-heterostructures. Computational predictions agree with experiments, when available. New superlattices as well as perfectly-matching interfaces are predicted.

cond-mat.mtrl-sci↗

arXiv2019

Universal spin diffusion length in polycrystalline graphene

Graphene grown by chemical vapor deposition (CVD) is the most promising material for industrial-scale applications based on graphene monolayers. It also holds promise for spintronics; despite being polycrystalline, spin transport in CVD graphene has been measured over lengths up to 30 $μ$m, which is on par with the best measurements made in single-crystal graphene. These results suggest that grain boundaries (GBs) in CVD graphene, while impeding charge transport, may have little effect on spin transport. However, to date very little is known about the true impact of disordered networks of GBs on spin relaxation. Here, by using first-principles simulations, we derive an effective tight-binding model of graphene GBs in the presence of spin-orbit coupling (SOC), which we then use to evaluate spin transport in realistic morphologies of polycrystalline graphene. The spin diffusion length is found to be independent of the grain size, and is determined only by the strength of the substrate-induced SOC. This result is consistent with the D'yakonov-Perel' mechanism of spin relaxation in the diffusive regime, but we find that it also holds in the presence of quantum interference. These results clarify the role played by GBs and demonstrate that the average grain size does not dictate the upper limit for spin transport in CVD-grown graphene, a result of fundamental importance for optimizing large-scale graphene-based spintronic devices.

cond-mat.mes-hall↗

arXiv2019

Aharonov-Bohm interferences in polycrystalline graphene

Aharonov-Bohm (AB) interferences in the quantum Hall regime can be achieved, provided that electrons are able to transmit between two edge channels in nanostructures. Pioneering approaches include quantum point contacts in 2DEG systems, bipolar graphene p-n junctions, and magnetic field heterostructures. In this work, defect scattering is proposed as an alternative mechanism to achieve AB interferences in polycrystalline graphene. Indeed, due to such scattering, the extended defects across the sample can act as tunneling paths connecting quantum Hall edge channels. Consequently, strong AB oscillations in the conductance are predicted in polycrystalline graphene systems with two parallel grain boundaries. In addition, this general approach is demonstrated to be applicable to nano-systems containing two graphene barriers with functional impurities and perspectively, can also be extended to similar systems of 2D materials beyond graphene.

cond-mat.mes-hall↗

arXiv2019

Stepped Graphene-based Aharonov-Bohm Interferometers

Aharonov-Bohm interferences in the quantum Hall regime are observed when electrons are transmitted between two edge channels. Such a phenomenon has been realized in 2D systems such as quantum point contacts, anti-dots and p-n junctions. Based on a theoretical investigation of the magnetotransport in stepped graphene, a new kind of Aharonov-Bohm interferometers is proposed herewith. Indeed, when a strong magnetic field is applied in a proper direction, oppositely propagating edge states can be achieved in both terrace and facet zones of the step, leading to the interedge scatterings and hence strong Aharonov-Bohm oscillations in the conductance in the quantum Hall regime. Taking place in the unipolar regime, this interference is also predicted in stepped systems of other 2D layered materials.

cond-mat.mes-hall↗

arXiv2019

Imaging Dirac fermions flow through a circular Veselago lens

Graphene charge carriers behave as relativistic massless fermions, thereby exhibiting a variety of counter-intuitive behaviors. In particular, at p-n junctions, they behave as photons encountering a negative index media, therefore experiencing a peculiar refraction known as Veselago lensing. However, the way Dirac fermions flow through a Veselago lens remains largely unexplored experimentally. Here, a novel approach to create a movable and tunable circular p-n junction in graphene is proposed, using the polarized tip of a scanning gate microscope. Scanning the tip in the vicinity of a graphene constriction while recording the device conductance yields images related to the electron flow through a circular Veselago lens, revealing a high current density in the lens core, as well as two low current density zones along transport axis. Tight-binding simulations reveal the crucial role of the p-n junction smoothness on these phenomena. The present research adds new dimensions in the control and understanding of Dirac fermions optical elements, a prerequisite to engineer relativistic electron optics devices.

cond-mat.mes-hall↗

arXiv2018

Electronic and vibrational properties of V$_2$C-based MXenes: from experiments to first-principles modeling

In the present work, the electronic and vibrational properties of both pristine V$_2$C and fully-terminated V$_2$CT$_2$ (where T = F, O, OH) 2D monolayers are investigated using density functional theory. Firstly, the atomic structures of V$_2$C-based MXene phases are optimized and their respective dynamical stabilities are discussed. Secondly, electronic band structures are computed indicating that V$_2$C is metallic as well as all the corresponding functionalized systems. Thirdly, the vibrational properties (phonon frequencies and spectra) of V$_2$C-based MXenes are computed thanks to density functional perturbation theory and reported for the first time. Both Raman (E$_g$, A$_{1g}$) and infrared active (E$_u$, A$_{2u}$) vibrational modes are predicted \textit{ab initio} with the aim to correlate the experimental Raman peaks with the calculated vibrational modes and to assign them with specific atomic motions. The effect of the terminal groups on the vibrational properties is emphasized as well as on the presence and position of the corresponding Raman peaks. Our results provide new insights for the identification and characterization of V$_2$C-based samples using Raman spectroscopy.

physics.chem-ph↗

arXiv2018

Klein tunneling and electron optics in Dirac-Weyl fermion systems with tilted energy dispersion

The outstanding electronic properties of relativistic-like fermions have been extensively studied in solid state systems with isotropic linear dispersions such as graphene. Here, we show that 2D and 3D Dirac-Weyl (DW) materials exhibiting tilted energy dispersions could induce drastically different transport phenomena, compared to the non-tilted case. Indeed, the Klein tunneling of DW fermions of opposite chiralities is predicted to appear along two separated oblique directions. In addition, valley filtering and beam splitting effects are easily tailored by dopant engineering techniques while the refraction of electron waves is dramatically modified by the tilt, thus paving the way for emerging applications in electron optics and valleytronics.

cond-mat.mes-hall↗

arXiv2018

Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures

Intralayer deformation in van der Waals (vdW) heterostructures is generally assumed to be negligible due to the weak nature of the interactions between the layers, especially when the interfaces are found incoherent. In the present work, graphene-phosphorene vdW-heterostructures are investigated with the Density Functional Theory (DFT). The challenge of treating nearly incommensurate (very large) supercell in DFT is bypassed by considering different energetic quantities in the grand canonical ensemble, alternative to the formation energy, in order to take into account the mismatch elastic contribution of the different layers. In the investigated heterostructures, it is found that phosphorene contracts by ~4% in the armchair direction when compared to its free-standing form. This large contraction leads to important changes in term of electronic properties, with the direct electronic optical transition of phosphorene becoming indirect in specific vdW-heterostructures. More generally, such a contraction indicates strong substrate effects in supported or encapsulated phosphorene -neglected hitherto- and paves the way to substrate-controlled stress- tronic in such 2D crystal. In addition, the stability of these vdW-heterostructures are investigated as a function of the rotation angle between the layers and as a function of the stacking composition. The alignment of the specific crystalline directions of graphene and phosphorene is found energetically favored. In parallel, several several models based on DFT-estimated quantities are presented; they allow notably a better understanding of the global mutual accommodation of 2D materials in their corresponding interfaces, that is predicted to be non-negligible even in the case of incommensurate interfaces.

cond-mat.mtrl-sci↗

arXiv2017

The Raman fingerprint of rhombohedral graphite

Multi-layer graphene with rhombohedral stacking is a promising carbon phase possibly displaying correlated states like magnetism or superconductivity due to the occurrence of a flat surface band at the Fermi level. Recently, flakes of thickness up to 17 layers were tentatively attributed ABC sequences although the Raman fingerprint of rhombohedral multilayer graphene is currently unknown and the 2D resonant Raman spectrum of Bernal graphite not understood. We provide a first principles description of the 2D Raman peak in three and four layers graphene (all stackings) as well as in Bernal, rhombohedral and an alternation of Bernal and rhombohedral graphite. We give practical prescriptions to identify long range sequences of ABC multi-layer graphene. Our work is a prerequisite to experimental non-destructive identification and synthesis of rhombohedral graphite.

cond-mat.mtrl-sci↗

arXiv2017

Thermal and electronic transport characteristics of highly stretchable graphene kirigami

For centuries, cutting and folding the papers with special patterns have been used to build beautiful, flexible and complex three-dimensional structures. Inspired by the old idea of kirigami (paper cutting), and the outstanding properties of graphene, recently graphene kirigami structures were fabricated to enhance the stretchability of graphene. However, the possibility of further tuning the electronic and thermal transport along the 2D kirigami structures have remained original to investigate. We therefore performed extensive atomistic simulations to explore the electronic, heat and load transfer along various graphene kirigami structures. The mechanical response and thermal transport were explored using classical molecular dynamics simulations. We then used a real-space Kubo-Greenwood formalism to investigate the charge transport characteristics in graphene kirigami. Our results reveal that graphene kirigami structures present highly anisotropic thermal and electrical transport. Interestingly, we show the possibility of tuning the thermal conductivity of graphene by four orders of magnitude. Moreover, we discuss the engineering of kirigami patterns to further enhance their stretchability by more than 10 times as compared with pristine graphene. Our study not only provides a general understanding concerning the engineering of electronic, thermal and mechanical response of graphene but more importantly can be useful to guide future studies with respect to the synthesis of other 2D material kirigami structures, to reach highly flexible and stretchable nanostructures with finely tunable electronic and thermal properties.

cond-mat.mes-hall↗

arXiv2016

Optical Hall effect in strained graphene

When passing an optical medium in the presence of a magnetic field, the polarization of light can be rotated either when reflected at the surface (Kerr effect) or when transmitted through the material (Faraday rotation). This phenomenon is a direct consequence of the optical Hall effect arising from the light-charge carrier interaction in solid state systems subjected to an external magnetic field, in analogy with the conventional Hall effect. The optical Hall effect has been explored in many thin films and also more recently in 2D layered materials. Here, an alternative approach based on strain engineering is proposed to achieve an optical Hall conductivity in graphene without magnetic field. Indeed, strain induces lattice symmetry breaking and hence can result in a finite optical Hall conductivity. First-principles calculations also predict this strain-induced optical Hall effect in other 2D materials. Combining with the possibility of tuning the light energy and polarization, the strain amplitude and direction, and the nature of the optical medium, large ranges of positive and negative optical Hall conductivities are predicted, thus opening the way to use these atomistic thin materials in novel specific opto-electro-mechanical devices.

cond-mat.mes-hall↗

arXiv2016

Valley filtering and electronic optics using polycrystalline graphene

In this Letter, both the manipulation of valley-polarized currents and the optical-like behaviors of Dirac fermions are theoretically explored in polycrystalline graphene. When strain is applied, the misorientation between two graphene domains separated by a grain boundary can result in a mismatch of their electronic structures. Such a discrepancy manifests itself in a strong breaking of the inversion symmetry, leading to perfect valley polarization in a wide range of transmission directions. In addition, these graphene domains act as different media for electron waves, offering the possibility to modulate and obtain negative refraction indexes.

cond-mat.mes-hall↗

arXiv2016

Transport properties through graphene grain boundaries: strain effects versus lattice symmetry

As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene grain boundaries is investigated using atomistic simulations. A systematic picture of the transport properties with respect to the strain and the lattice symmetry of graphene domains on both sides of the boundary is provided. In particular, it is shown that the strain engineering can be used to open a finite transport gap in all graphene systems where two domains exhibit different orientations. This gap value is found to depend on the strain magnitude, on the strain direction and on the lattice symmetry of graphene domains. By choosing appropriately the strain direction, a large transport gap of a few hundred meV can be achieved when applying a small strain of only a few percents. For a specific class of graphene grain boundary systems, the strain engineering can also be used to reduce the scattering on defects and hence to significantly enhance the conductance. With a large strain-induced gap, these graphene heterostructures are proposed to be possible candidates for highly sensitive strain sensors, flexible transistors and p-n junctions with a strong non-linear I-V characteristics.

cond-mat.mes-hall↗