arXiv subjects

D. R. da Costa

Publications and source records attributed to D. R. da Costa.

35 records · Page 2Linked to original sources

arXiv2021

Stark shift of excitons and trions in two-dimensional materials

The effect of an external in-plane electric field on neutral and charged exciton states in two-dimensional (2D) materials is theoretically investigated. These states are argued to be strongly bound, so that electron-hole dissociation is not observed up to high electric field intensities. Trions in the anisotropic case of monolayer phosphorene are demonstrated to especially robust under electric fields, so that fields as high as 100 kV/cm yield no significant effect on the trion binding energy or probability density distribution. Polarizabilities of excitons are obtained from the parabolicity of numerically calculated Stark shifts. For trions, a fourth order Stark shift is observed, which enables the experimental verification of hyperpolarizability in 2D materials, as observed in the highly excited states of the Rydberg series of atoms and ions.

cond-mat.mtrl-sci↗

arXiv2020

Effect of zitterbewegung on the propagation of wave packets in ABC-stacked multilayer graphene: an analytical and computational approach

The time evolution of a low-energy two-dimensional Gaussian wave packet in ABC-stacked $n$-layer graphene (ABC-NLG) is investigated. Expectation values of the position $(x,y)$ of center-of-mass and the total probability densities of the wave packet are calculated analytically using the Green's function method. These results are confirmed using an alternative numerical method based on the split-operator technique within the Dirac approach for ABC-NLG, which additionally allows to include external fields and potentials. The main features of the zitterbewegung (trembling motion) of wave packets in graphene are demonstrated and are found to depend not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Moreover, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes.

cond-mat.mes-hall↗

arXiv2020

Electronic and transport properties of anisotropic semiconductor quantum wires

Within the effective-mass approximation, we theoretically investigated the electronic and transport properties of 2D semiconductor quantum wires (QWs) with anisotropic effective masses and different orientations with respect to the anisotropic axis. The energy levels in the absence and presence of an external magnetic field are analytically calculated, showing: (i) a strong dependence on the spacing of energy levels related to the alignment QW angle and the anisotropy axis; and (ii) for non-null magnetic field, the quantum Hall edge states are significantly affected by the edge orientation. Moreover, by means of the split-operator technique, we analyzed the time evolution of wavepackets in straight and V-shaped anisotropic QWs and compared the transmission probabilities with those of isotropic systems. In the anisotropic case we found damped oscillations in the average values of velocity in both x and y directions for a symmetric Gaussian wavepacket propagating along a straight wide QW, with the oscillation being more evident as the non-collinearity between the group velocity and momentum vectors increases.

cond-mat.mes-hall↗

arXiv2020

Current modulation in graphene p-n junctions with external fields

In this work we describe a proposal for a graphene-based nanostructure that modulates electric current even in the absence of a gap in the band structure. The device consists of a graphene p-n junction that acts as a Veselago lens that focuses ballistic electrons on the output lead. Applying external (electric and magnetic) fields changes the position of the output focus, reducing the transmission. Such device can be applied to low power field effect transistors, which can benefit from graphene's high electronic mobility.

cond-mat.mes-hall↗

arXiv2020

Electronic properties of bilayer graphene catenoid bridge

We study the properties of an electron on a catenoid surface. The catenoid is understood as a realization of a bridge connecting two graphene layer by a smooth surface. The curvature induces a symmetrical reflectionless potential well around the bridge with one bound-state for $m=0$. For $m\neq 0$, a centrifugal potential barrier arises controlling the tunnelling between the layers. An external electric field breaks the parity symmetry and provides a barrier that controls the conductance from one layer to another. By applying a constant magnetic field the effective potential exhibits a confining double-well potential nearby the bridge. We obtain the corresponding bound states and study the effects of the curvature on the Landau levels.

cond-mat.mes-hall↗

arXiv2019

Electron collimation at van der Waals domain walls in bilayer graphene

We show that a domain wall separating single layer graphene (SLG) and AA-stacked bilayer graphene (AA-BLG) can be used to generate highly collimated electron beams which can be steered by a magnetic field. Such system exists in two distinct configurations, namely, locally delaminated AA-BLG and terminated AA-BLG whose terminal edge-type can be either zigzag or armchair. We investigate the electron scattering using semi-classical dynamics and verify the results independently with wave-packed dynamics simulations. We find that the proposed system supports two distinct types of collimated beams that correspond to the lower and upper cones in AA-BLG. Our computational results also reveal that collimation is robust against the number of layers connected to AA-BLG and terminal edges.

cond-mat.mes-hall↗

arXiv2018

Conditions for the occurrence of Coulomb blockade in phosphorene quantum dots at room temperature

We study the addition energy spectra of phosphorene quantum dots focusing on the role of dot size, edges passivation, number of layers and dielectric constant of the substrate where the dots are deposited. We show that for sufficiently low dielectric constants ($\varepsilon_{sub} < 4$), Coulomb blockade can be observed in dot sizes larger than 10 nm, for both passivated and unpassivated edges. For higher dielectric constants (up to $\varepsilon_{sub} = 30$), Coulomb blockade demands smaller dot sizes, but this depends whether the edges are passivated or not. This dramatic role played by the substrate is expected to impact on the development of application based on phosphorene quantum dots.

cond-mat.mes-hall↗

arXiv2017

Boundary conditions for phosphorene nanoribbons in the continuum approach

We investigate the energy spectrum of single layer black phosphorene nanoribbons (BPN) by means of a low-energy expansion of a recently proposed tight-binding model that describes electron and hole bands close to the Fermi energy level. Using the continuum approach, we propose boundary conditions based on sublattice symmetries for BPN with zigzag and armchair edges and show that our results for the energy spectra exhibit good agreement with those obtained by using the five-parameter tight-binding model. We also explore the behaviour of the energy gap versus the nanoribbon width $W$. Our findings demonstrate that band gap of armchair BPNs scale as $1/W^2$, while zigzag BPNs exhibit a $1/W$ tendency. We analyse the different possible combinations of the zigzag edges that result two-fold degenerate and non-degenerate edge states. Furthermore, we obtain expressions for the wave functions and discuss the limit of validity of such analytical model.

cond-mat.mes-hall↗

arXiv2017

Multilayers black phosphorus: from tight-binding to continuum description

We investigate the electronic properties of $N$-layer black phosphorus by means of an analytical method based on a recently proposed tight-binding Hamiltonian involving $14$ hopping parameters. The method provides simple and accurate general expressions for the Hamiltonian of $N$-layer phosphorene, which are suitable for the study of electronic transport and optical properties of such systems, and the results show the features that emerge as the number of layers increases. In addition, we show that the $N$-layer problem can be translated into $N$ effective monolayer problems in the long wavelength approximation and, within this analytical picture, we obtain expressions for the energy gap and the effective masses for electrons and holes along the $N$-layer black phosphorus plane directions as function of the number of layers, as well as for the Landau levels as function of perpendicular magnetic field.

cond-mat.mes-hall↗

arXiv2017

Excitonic gaps and exciton binding energies in multilayer phosphorene quantum dots

Dielectric screening is greatly important to an accurate calculation of the exciton binding energies in two-dimensional materials. In this work, we calculate the dielectric function and 2D polarizability of multilayer (up to three) phosphorene sheets using Density Functional Theory. The 2D polarizabilities are then used in the dielectric screening of the excitonic interaction in multilayer phosphorene quantum dots. In the limit of large quantum dots, excitonic gaps are shown to exhibit very good agreement with state-of-the-art measurements of the optical gaps of multilayer phosphorene sheets deposited in different substrates.

cond-mat.mes-hall↗

arXiv2017

Substrate effects on the exciton fine structure of black phosphorus quantum dots

We study the size-dependent exciton fine structure in monolayer black phosphorus quantum dots (BPQDs) deposited on different substrates (isolated, Si and SiO$_2$) using a combination of tight-binding method to calculate the single-particle states, and the configuration interaction formalism to determine the excitonic spectrum. We demonstrate that the substrate plays a dramatic role on the excitonic gaps and excitonic spectrum of the QDs. For reasonably high dielectric constants ($\varepsilon_{sub} \sim \varepsilon_{Si} = 11.7 \varepsilon_0$), the excitonic gap can be described by a single power law $E_X(R) = E_X^{(bulk)} + C/R^γ$. For low dielectric constants $\varepsilon_{sub} \leq \varepsilon_{SiO_2} = 3.9 \varepsilon_0$, the size dependence of the excitonic gaps requires the sum of two power laws $E_X(R) = E_g^{(bulk)} + A/ R^{n} - B/R^{m}$ to describe both strong and weak quantum confinement regimes, where $A$, $B$, $C$, $γ$, $n$, and $m$ are substrate-dependent parameters. We also predict that the exciton lifetimes exhibit a strong temperature dependence, ranging between 2-8 ns (Si substrate) and 3-11 ns (SiO$_2$ substrate) for QDs up 10 nm in size.

cond-mat.mes-hall↗

arXiv2017

Charging energy spectrum of black phosphorus quantum dots

We present a theoretical study of the charging effects in single and double layer black phosphorus quantum dots (BPQDs) with lateral sizes of 2 nm and 3 nm. We demonstrate that the charging of BPQDs are able to store up to an $N_{max}$ electron (that depends on the lateral size and number of layers in the QD), after which structural instabilities arises. For example, 3 nm wide hydrogen-passivated single layer BPQDs can hold a maximum of 16 electrons, and an additional electron causes the expelling of hydrogen atoms from the QD borders. We also calculated the additional energy ($E_A$) spectrum. For single layer QDs with 2 and 3 nm of lateral sizes, the average $E_A$ is around 0.4 eV and 0.3 eV, respectively. For double layer QDs with the same sizes, the average $E_A$ is around 0.25 eV and 0.2 eV, respectively.

cond-mat.mes-hall↗

arXiv2016

All-strain based valley filter in graphene nanoribbons using snake states

A pseudo-magnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudo-magnetic fields point towards opposite directions in the K and K' valleys, leading to valley polarized snake states. In a graphene nanoribbon with armchair edges this effect results in a valley filter that is based only on strain engineering. We discuss how to maximize this valley filtering by adjusting the parameters that define the stress distribution along the graphene ribbon.

cond-mat.mes-hall↗

arXiv2016

Valley filtering using electrostatic potentials in bilayer graphene

Propagation of an electron wave packet through a quantum point contact (QPC) defined by electrostatic gates in bilayer graphene is investigated. The gates provide a bias between the layers, in order to produce an energy gap. If the gates on both sides of the contact produce the same bias, steps in the electron transmission probability are observed, as in the usual QPC. However, if the bias is inverted on one of the sides of the QPC, only electrons belonging to one of the Dirac valleys are allowed to pass, which provides a very efficient valley filtering.

cond-mat.mes-hall↗

arXiv2016

Energy shift and conduction-to-valence band transition mediated by a time dependent potential barrier in graphene

We investigate the scattering of a wave packet describing low-energy electrons in graphene by a time-dependent finite step potential barrier. Our results demonstrate that, after Klein tunneling through the barrier, the electron acquires an extra energy which depends on the rate of change the barrier height in time. If such a rate is negative, the electron loses energy and ends up as a valence band state after leaving the barrier, which effectively behaves as a positively charged quasi-particle

cond-mat.mes-hall↗

arXiv2013

Circular, elliptic and oval billiards in a gravitational field

We consider classical dynamical properties of a particle in a constant gravitational force and making specular reflections with circular, elliptic or oval boundaries. The model and collision map are described and a detailed study of the energy regimes is made. The linear stability of fixed points is studied, yielding exact analytical expressions for parameter values at which a period-doubling bifurcation occurs. The dynamics is apparently ergodic at certain energies in all three models, in contrast to the regularity of the circular and elliptic billiard dynamics in the field-free case. This finding is confirmed using a sensitive test involving Lyapunov weighted dynamics. In the last part of the paper a time dependence is introduced in the billiard boundary, where it is shown that for the circular billiard the average velocity saturates for zero gravitational force but in the presence of gravitational it increases with a very slow growth rate, which may be explained using Arnold diffusion. For the oval billiard, where chaos is present in the static case, the particle has an unlimited velocity growth with an exponent of approximately 1/6.

nlin.CD↗

arXiv2012

Wavepacket scattering on graphene edges in the presence of a (pseudo) magnetic field

The scattering of a Gaussian wavepacket in armchair and zigzag graphene edges is theoretically investigated by numerically solving the time dependent Schrödinger equation for the tight-binding model Hamiltonian. Our theory allows to investigate scattering in reciprocal space, and depending on the type of graphene edge we observe scattering within the same valley, or between different valleys. In the presence of an external magnetic field, the well know skipping orbits are observed. However, our results demonstrate that in the case of a pseudo-magnetic field, induced by non-uniform strain, the scattering by an armchair edge results in a non-propagating edge state.

cond-mat.mes-hall↗