arXiv subjects

Vitor M. Pereira

Publications and source records attributed to Vitor M. Pereira.

At least 37 records · Page 2Linked to original sources

arXiv2017

Second harmonic spectroscopy to optically detect valley polarization in 2D materials

Valley polarization (VP), an induced imbalance in the populations of a multi-valley electronic system, allows emission of second harmonic (SH) light even in centrosymmetric crystals such as graphene. Whereas in systems such as MoS$\mathrm{_2}$ or BN this adds to their intrinsic quadratic response, SH generation in a multi-valley inversion-symmetric crystal can provide a direct measure of valley polarization. By computing the nonlinear response and characterizing theoretically the respective SH as a function of polarization, temperature, electron density, and degree of VP, we demonstrate the possibility of disentangling and individually quantifying the intrinsic and valley contributions to the SH. A specific experimental setup is proposed to obtain direct quantitative information about the degree of VP and allow its remote mapping. This approach could prove useful for direct, contactless, real-space monitoring of valley injection and other applications of valley transport and valleytronics.

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arXiv2016

Piezoelectricity in planar boron nitride via a geometric phase

Due to their low surface mass density, two-dimensional materials with a strong piezoelectric response are interesting for nanoelectromechanical systems with high force sensitivity. Unlike graphene, the two sublattices in a monolayer of hexagonal boron nitride (hBN) are occupied by different elements, which breaks inversion symmetry and allows for piezoelectricity. This has been confirmed with density functional theory calculations of the piezoelectric constant of hBN. Here, we formulate an entirely analytical derivation of the electronic contribution to the piezoelectric response in this system based on the concepts of strain-induced pseudomagnetic vector potential and the modern theory of polarization that relates the polar moment to the Berry curvature. Our findings agree with the symmetry restrictions expected for the hBN lattice and reproduce well the magnitude of the piezoelectric effect previously obtained ab-initio.

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arXiv2016

Boron and nitrogen doping in graphene antidot lattices

Bottom-up fabrication of graphene antidot lattices (GALs) has previously yielded atomically precise structures with sub-nanometer periodicity. Focusing on this type of experimentally realized GAL, we perform density functional theory calculations on the pristine structure as well as GALs with edge carbon atoms substituted with boron or nitrogen. We show that p- and n-type doping levels emerge with activation energies that depend on the level of hydrogenation at the impurity. Furthermore, a tight-binding parameterization together with a Green's function method are used to describe more dilute doping.

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arXiv2016

Nonlinear photocurrents in two-dimensional systems based on graphene and boron nitride

DC photoelectrical currents can be generated purely as a non-linear effect in uniform media lacking inversion symmetry without the need for a material junction or bias voltages to drive it, in what is termed photogalvanic effect. These currents are strongly dependent on the polarization state of the radiation, as well as on topological properties of the underlying Fermi surface such as its Berry curvature. In order to study the intrinsic photogalvanic response of gapped graphene (GG), biased bilayer graphene (BBG), and hexagonal boron nitride (hBN), we compute the non-linear current using a perturbative expansion of the density matrix. This allows a microscopic description of the quadratic response to an electromagnetic field in these materials, which we analyze as a function of temperature and electron density. We find that the intrinsic response is robust across these systems and allows for currents in the range of pA cm/W to nA cm/W. At the independent-particle level, the response of hBN-based structures is significant only in the ultra-violet due to their sizeable band-gap. However, when Coulomb interactions are accounted for by explicit solution of the Bethe-Salpeter equation, we find that the photoconductivity is strongly modified by transitions involving exciton levels in the gap region, whose spectral weight dominates in the overall frequency range. Biased bilayers and gapped monolayers of graphene have a strong photoconductivity in the visible and infrared window, allowing for photocurrent densities of several nA cm/W. We further show that the richer electronic dispersion of BBG at low energies and the ability to change its band-gap on demand allows a higher tunability of the photocurrent, including not only its magnitude but also, and significantly, its polarity.

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arXiv2016

Graphene kirigami as a platform for stretchable and tunable quantum dot arrays

The quantum transport properties of a graphene kirigami similar to those studied in recent experiments are calculated in the regime of elastic, reversible deformations. Our results show that, at low electronic densities, the conductance profile of such structures replicates that of a system of coupled quantum dots, characterized by a sequence of minibands and stop-gaps. The conductance and I-V curves have different characteristics in the distinct stages of elastic deformation that characterize the elongation of these structures. Notably, the effective coupling between localized states is strongly reduced in the small elongation stage, whereas in the large elongation regime the development of strong, localized pseudomagnetic field barriers can reinforce the coupling and reestablish resonant tunneling across the kirigami. This provides an interesting example of interplay between geometry and pseudomagnetic field-induced confinement. The alternating miniband and stop-gaps in the transmission lead to I-V characteristics with negative differential conductance in well defined energy/doping ranges. These effects should be stable in a realistic scenario that includes edge roughness and Coulomb interactions, as these are expected to further promote localization of states at low energies in narrow segments of graphene nanostructures.

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arXiv2015

Conductance signatures of electron confinement induced by strained nanobubbles in graphene

We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of states, and current density of zigzag or armchair graphene nanoribbons are modified by the presence of a nanobubble. In particular, we establish that low-energy electrons can be confined in the vicinity or within the nanobubbles by the delicate interplay between the pseudomagnetic field pattern created by the shape of the bubble, mode mixing, and substrate interaction. The coupling between confined evanescent states and propagating modes can be enhanced under different clamping conditions, which translates into Fano resonances in the conductance traces.

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arXiv2014

Designing electronic properties of two-dimensional crystals through optimization of deformations

One of the enticing features common to most of the two-dimensional electronic systems that are currently at the forefront of materials science research is the ability to easily introduce a combination of planar deformations and bending in the system. Since the electronic properties are ultimately determined by the details of atomic orbital overlap, such mechanical manipulations translate into modified electronic properties. Here, we present a general-purpose optimization framework for tailoring physical properties of two-dimensional electronic systems by manipulating the state of local strain, allowing a one-step route from their design to experimental implementation. A definite example, chosen for its relevance in light of current experiments in graphene nanostructures, is the optimization of the experimental parameters that generate a prescribed spatial profile of pseudomagnetic fields in graphene. But the method is general enough to accommodate a multitude of possible experimental parameters and conditions whereby deformations can be imparted to the graphene lattice, and complies, by design, with graphene's elastic equilibrium and elastic compatibility constraints. As a result, it efficiently answers the inverse problem of determining the optimal values of a set of external or control parameters that result in a graphene deformation whose associated pseudomagnetic field profile best matches a prescribed target. The ability to address this inverse problem in an expedited way is one key step for practical implementations of the concept of two-dimensional systems with electronic properties strain-engineered to order. The general-purpose nature of this calculation strategy means that it can be easily applied to the optimization of other relevant physical quantities which directly depend on the local strain field, not just in graphene but in other two-dimensional electronic membranes.

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arXiv2014

Pseudomagnetic fields in graphene nanobubbles of constrained geometry: A molecular dynamics study

Analysis of the strain-induced pseudomagnetic fields (PMFs) generated in graphene nanobulges under three different substrate scenarios shows that, in addition to the shape, the graphene-substrate interaction can crucially determine the overall distribution and magnitude of strain and those fields, in and outside the bulge. We utilize a combination of classical molecular dynamics, continuum mechanics, and tight-binding electronic structure calculations as an unbiased means of studying pressure-induced deformations and the resulting PMF in graphene nanobubbles of various geometries. The interplay among substrate aperture geometry, lattice orientation, internal gas pressure, and substrate type is analyzed in view of strain-engineered graphene nanostructures capable of confining and/or guiding electrons at low energies. Except in highly anisotropic geometries, the magnitude of the PMF is generally significant only near the boundaries of the aperture and rapidly decays towards the center because under gas pressure at the scales considered here there is considerable bending at the edges and the central region displays nearly isotropic strain. When the deflection lead to sharp bends at the edges, curvature and the tilting of the $p_z$ orbitals cannot be ignored and contributes substantially to the total field. The strong and localized nature of the PMF at the boundaries and its polarity-changing profile can be exploited to trap electrons inside the bubble or of guiding them in channel-like geometries defined by edges. However, we establish that slippage of graphene against the substrate is an important factor in determining the degree of concentration of PMFs in or around the bulge since it can lead to considerable softening of the strain gradients there. The nature of the substrate emerges thus as a decisive factor determining the effectiveness of nanoscale PMFs tailoring in graphene.

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arXiv2013

Tuning Optical Conductivity of Large-Scale CVD Graphene by Strain Engineering

Strain engineering has been recently recognized as an effective way to tailor the electrical properties of graphene. In the optical domain, effects such as strain-induced anisotropic absorption add an appealing functionality to graphene, opening the prospect for atomically thin optical elements. Indeed, graphene is currently one of the notable players in the intense drive towards bendable, thin, and portable electronic displays, where its intrinsically metallic, optically transparent, and mechanically robust nature are major advantages. Given that the intrinsic transparency of a graphene monolayer is 97.7 %, any small, reproducible, controllable, and potentially reversible modulation of transparency can have a significant impact for graphene as a viable transparent conducting electrode. Even more so, if the degree of modulation is polarization dependent. Here we show that the transparency in the visible range of graphene pre-strained on a Polyethylene terephthalate (PET) substrate exhibits a periodic modulation (0.1 %) as a function of polarization direction, which we interpret as strain-induced optical anisotropy. The degree of anisotropy is varied by reversible external manipulation of the level of pre-strain. The magnitude of strain is monitored independently by optical absorption and Raman spectroscopy, and the experimental observations are consistent with the theoretically expected modification of the optical conductivity of graphene arising from the strain-induced changes in the electronic dispersion of graphene. The strain sensitivity of the optical response of graphene demonstrated in this study can be potentially utilized towards novel ultra-thin optical devices and strain sensing applications.

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arXiv2013

Conductance across strain junctions in graphene nanoribbons

To address the robustness of the transport gap induced by locally strained regions in graphene nanostructures, the effect of disorder and smoothness of the interface region is investigated within the Landauer-Büttiker formalism. The electronic conductance across strained junctions and barriers in graphene nanoribbons is calculated numerically, with and without various types of disorder, and comparing smooth and sharp strain junctions. A smooth strain barrier in graphene is seen to be generically as efficient in suppressing transport at low densities as a sharp one, and the critical density (or energy) for the onset of transmission depends on the strain orientation with respect to the ribbon. In addition, hopping (or strain) inhomogeneity and work function mismatch at the interface region do not visibly degrade the transport gap. These results show that the strain-induced transport gap at a strain junction is robust to more realistic strain conditions.

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arXiv2013

Effective contact model for geometry-independent conductance calculations in graphene

A geometry-independent effective model for the contact self-energies is proposed to calculate the quantum conductance of patterned graphene devices using Green's functions. A Corbino disk, being the simplest device where the contacts can not be modeled as semi-infinite ribbons, is chosen to illustrate this approach. This system's symmetry allows an analytical solution against which numerical calculations on the lattice can be benchmarked. The effective model perfectly describes the conductance of Corbino disks at low-to-moderate energies, and is robust against the size of the annular device region, the number of atoms on the edge, external magnetic fields, or electronic disorder. The contact model considered here affords an expedite, flexible, and geometry-agnostic approach easily allows the consideration of device dimensions encompassing several million atoms, and realistic radial dimensions of a few hundreds of nanometers.

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arXiv2013

Tunable optical absorption and interactions in graphene via oxygen plasma

We report significant changes of optical conductivity in single layer graphene induced by mild oxygen plasma exposure, and explore the interplay between carrier doping, disorder, and many-body interactions from their signatures in the absorption spectrum. The first distinctive effect is the reduction of the excitonic binding energy that can be extracted from the renormalized saddle point resonance at 4.64 eV. Secondly, the real part of the frequency-dependent conductivity is nearly completely suppressed below an exposure-dependent threshold in the near infrared range. The clear step-like suppression follows the Pauli blocking behaviour expected for doped monolayer graphene. The nearly zero residual conductivity at frequencies below 2Ef can be interpreted as arising from the weakening of the electronic self-energy. Our data shows that mild oxygen exposure can be used to controlably dope graphene without introducing the strong physical and chemical changes that are common in other approaches to oxidized graphene, allowing a controllable manipulation of the optical properties of graphene.

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arXiv2013

Resonant tunneling in graphene pseudomagnetic quantum dots

Realistic relaxed configurations of triaxially strained graphene quantum dots are obtained from unbiased atomistic mechanical simulations. The local electronic structure and quantum transport characteristics of y-junctions based on such dots are studied, revealing that the quasi-uniform pseudomagnetic field induced by strain restricts transport to Landau level- and edge state-assisted resonant tunneling. Valley degeneracy is broken in the presence of an external field, allowing the selective filtering of the valley and chirality of the states assisting in the resonant tunneling. Asymmetric strain conditions can be explored to select the exit channel of the y-junction.

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arXiv2013

Lattice-corrected strain-induced vector potentials in graphene

The electronic implications of strain in graphene can be captured at low energies by means of pseudovector potentials which can give rise to pseudomagnetic fields. These strain-induced vector potentials arise from the local perturbation to the electronic hopping amplitudes in a tight-binding framework. Here we complete the standard description of the strain-induced vector potential, which accounts only for the hopping perturbation, with the explicit inclusion of the lattice deformations or, equivalently, the deformation of the Brillouin zone. These corrections are linear in strain and are different at each of the strained, inequivalent Dirac points, and hence are equally necessary to identify the precise magnitude of the vector potential. This effect can be relevant in scenarios of inhomogeneous strain profiles, where electronic motion depends on the amount of overlap among the local Fermi surfaces. In particular, it affects the pseudomagnetic field distribution induced by inhomogeneous strain configurations, and can lead to new opportunities in tailoring the optimal strain fields for certain desired functionalities.

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arXiv2012

Enhanced Optical Dichroism of Graphene Nanoribbons

The optical conductivity of graphene nanoribbons is analytical and exactly derived. It is shown that the absence of translation invariance along the transverse direction allows considerable intra-band absorption in a narrow frequency window that varies with the ribbon width, and lies in the THz range domain for ribbons 10-100nm wide. In this spectral region the absorption anisotropy can be as high as two orders of magnitude, which renders the medium strongly dichroic, and allows for a very high degree of polarization (up to ~85) with just a single layer of graphene. The effect is resilient to level broadening of the ribbon spectrum potentially induced by disorder. Using a cavity for impedance enhancement, or a stack of few layer nanoribbons, these values can reach almost 100%. This opens a potential prospect of employing graphene ribbon structures as efficient polarizers in the far IR and THz frequencies.

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arXiv2012

Electron-Electron Interactions in Graphene: Current Status and Perspectives

We review the problem of electron-electron interactions in graphene. Starting from the screening of long range interactions in these systems, we discuss the existence of an emerging Dirac liquid of Lorentz invariant quasi-particles in the weak coupling regime, and strongly correlated electronic states in the strong coupling regime. We also analyze the analogy and connections between the many-body problem and the Coulomb impurity problem. The problem of the magnetic instability and Kondo effect of impurities and/or adatoms in graphene is also discussed in analogy with classical models of many-body effects in ordinary metals. We show that Lorentz invariance plays a fundamental role and leads to effects that span the whole spectrum, from the ultraviolet to the infrared. The effect of an emerging Lorentz invariance is also discussed in the context of finite size and edge effects as well as mesoscopic physics. We also briefly discuss the effects of strong magnetic fields in single layers and review some of the main aspects of the many-body problem in graphene bilayers. In addition to reviewing the fully understood aspects of the many-body problem in graphene, we show that a plethora of interesting issues remain open, both theoretically and experimentally, and that the field of graphene research is still exciting and vibrant.

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arXiv2012

Faraday effect in graphene enclosed in an optical cavity and the equation of motion method for the study of magneto-optical transport in solids

We show that by enclosing graphene in an optical cavity, giant Faraday rotations in the infrared regime are generated and measurable Faraday rotation angles in the visible range become possible. Explicit expressions for the Hall steps of the Faraday rotation angle are given for relevant regimes. In the context of this problem we develop an equation of motion (EOM) method for calculation of the magneto-optical properties of metals and semiconductors. It is shown that properly regularized EOM solutions are fully equivalent to the Kubo formula.

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arXiv2010

Optical Properties of Strained Graphene

The optical conductivity of graphene strained uniaxially is studied within the Kubo-Greenwood formalism. Focusing on inter-band absorption, we analyze and quantify the breakdown of universal transparency in the visible region of the spectrum, and analytically characterize the transparency as a function of strain and polarization. Measuring transmittance as a function of incident polarization directly reflects the magnitude and direction of strain. Moreover, direction-dependent selection rules permit identification of the lattice orientation by monitoring the van-Hove transitions. These photoelastic effects in graphene can be explored towards atomically thin, broadband optical elements.

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