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.Comment: 5 pages, 5 figures and Supplemental Material, submitted for publicatio

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.Comment: 6 pages + 6 figures and a supplemental material, revised and resubmitte

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.Comment: 20 pages, 9 figures, submitted for publicatio

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.Comment: 18 pages, 5 pages article + 13 pages supplemental materia

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

Velocity renormalization and Dirac cone multiplication in graphene superlattices with various barrier edge geometries

The electronic properties of one-dimensional graphene superlattices strongly depend on the atomic size and orientation of the 1D external periodic potential. Using a tight-binding approach, we show that the armchair and zigzag directions in these superlattices have a different impact on the renormalization of the anisotropic velocity of the charge carriers. For symmetric potential barriers, the velocity perpendicular to the barrier is modified for the armchair direction while remaining unchanged in the zigzag case. For asymmetric barriers, the initial symmetry between the forward and backward momentum with respect to the Dirac cone symmetry is broken for the velocity perpendicular (armchair case) or parallel (zigzag case) to the barriers. At last, Dirac cone multiplication at the charge neutrality point occurs only for the zigzag geometry. In contrast, band gaps appear in the electronic structure of the graphene superlattice with barrier in the armchair direction.Comment: 13 pages, 14 figure

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.Comment: 29 pages, 9 figures, 1 supplementary figur

Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene

Spin-dependent features in the conductivity of graphene, chemically modified by a random distribution of hydrogen adatoms, are explored theoretically. The spin effects are taken into account using a mean-field self-consistent Hubbard model derived from first-principles calculations. A Kubo-Greenwood transport methodology is used to compute the spin-dependent transport fingerprints of weakly hydrogenated graphene-based systems with realistic sizes. Conductivity responses are obtained for paramagnetic, antiferromagnetic, or ferromagnetic macroscopic states, constructed from the mean-field solutions obtained for small graphene supercells. Magnetoresistance signals up to $\sim 7$ are calculated for hydrogen densities around 0.25%. These theoretical results could serve as guidance for experimental observation of induced magnetism in graphene.Comment: 4 pages, 4 figure

Transport properties of 2D graphene containing structural defects

We propose an extensive report on the simulation of electronic transport in 2D graphene in presence of structural defects. Amongst the large variety of such defects in sp$^2$ carbon-based materials, we focus on the Stone-Wales defect and on two divacancy-type reconstructed defects. First, based on ab initio calculations, a tight-binding model is derived to describe the electronic structure of these defects. Then, semiclassical transport properties including the elastic mean free paths, mobilities and conductivities are computed using an order-N real-space Kubo-Greenwood method. A plateau of minimum conductivity ($\sigma^{min}_{sc}= 4e^2/\pi h$) is progressively observed as the density of defects increases. This saturation of the decay of conductivity to $\sigma^{min}_{sc}$ is associated with defect-dependent resonant energies. Finally, localization phenomena are captured beyond the semiclassical regime. An Anderson transition is predicted with localization lengths of the order of tens of nanometers for defect densities around 1%.Comment: 17 pages, 17 figures, submitted to Phys. Rev.

Klein tunneling degradation and enhanced Fabry-P\'erot interference in graphene/h-BN moir\'e-superlattice devices

Hexagonal boron-nitride (h-BN) provides an ideal substrate for supporting graphene devices to achieve fascinating transport properties, such as Klein tunneling, electron optics and other novel quantum transport phenomena. However, depositing graphene on h-BN creates moir\'e superlattices, whose electronic properties can be significantly manipulated by controlling the lattice alignment between layers. In this work, the effects of these moir\'e structures on the transport properties of graphene are investigated using atomistic simulations. At large misalignment angles (leading to small moir\'e cells), the transport properties (most remarkably, Klein tunneling) of pristine graphene devices are conserved. On the other hand, in the nearly aligned cases, the moir\'e interaction induces stronger effects, significantly affecting electron transport in graphene. In particular, Klein tunneling is significantly degraded. In contrast, strong Fabry-P\'erot interference (accordingly, strong quantum confinement) effects and non-linear I-V characteristics are observed. P-N interface smoothness engineering is also considered, suggesting as a potential way to improve these transport features in graphene/h-BN devices.Comment: 21 pages, 8 figures, Supplementary material