arXiv subjects

A. Chaves

Publications and source records attributed to A. Chaves.

At least 19 recordsLinked to original sources

arXiv2025

Wave Packet Propagation through Graphene with Square and Triangular Patterned Circular Potential Scatterers

In this study, using the Dirac continuum model combined with the split-operator technique, we investigate the propagation dynamics of wave packets in graphene in the presence of circular potential barriers arranged in square and triangular geometries. Our results reveal a non-monotonic dependence of the wave packet transmission on the number of barrier rows along the propagation direction: the transmission initially decreases as rows of barriers are removed, but then increases again when additional rows are eliminated. To explain the observed nonlinear behavior, the time evolution of the transmission probability is analyzed, providing insight into the interplay between wave packet dynamics and the spatial arrangement of potential barriers. These findings offer a pathway for designing graphene-based devices with tunable transport properties through engineered potential landscapes.

cond-mat.mes-hall↗

arXiv2025

Striped excitonic (super)solid in anisotropic semiconductors with screened exciton interactions

Within the Gross-Pitaevskii framework, we reveal the emergence of a crystallized phase of an exciton condensate in an atomically-thin anisotropic semiconductor, where screening of exciton-exciton interactions is introduced by a proximal doped graphene layer. While such screened interactions are expected to yield a hexagonal crystal lattice in the excitonic condensate in isotropic semiconductor quantum wells [see e.g. Phys. Rev. Lett. \textbf{108}, 060401 (2012)], here we show that for atomically thin semiconductors with strong electronic anisotropy, such as few-layer black phosphorus, the crystallized exciton phase acquires a parallel stripe structure - unanticipated to date. The optimal conditions for the emergence of this phase, as well as for its coexistence with excitonic superfluidity in a striped supersolid phase, are identified.

cond-mat.mes-hall↗

arXiv2024

Wave-packet dynamics in a graphene with periodic potentials

We use the Dirac continuum model to study the propagation of electronic wave packets in graphene with periodically arranged circular potential steps. The time propagation of the wave packets are calculated using the split-operator method for different size, height and separation of the barriers. The time propagation of the wave packets is calculated using the split-operator method for various barrier sizes, heights, and separations. We found that, despite the pronounced Klein tunneling effect in graphene, the presence of a lattice of defects significantly impacts the propagation properties of the wave packets. For example, depending on the height and size of the incident wave packet, the transmission probability can decrease by more than 20\%. The alteration of the polarity of the potential barriers also contributes to the transmission probabilities of the wave packet in graphene. The obtained results could provide valuable insights into the fundamental understanding of charge carrier dynamics in graphene-based nanodevices.

cond-mat.mes-hall↗

arXiv2021

Zitterbewegung of moiré excitons in twisted MoS$_2$/WSe$_2$ hetero-bilayers

The moiré pattern observed in stacked non-commensurate crystal lattices, such as hetero-bilayers of transition metal dichalcogenides, produces a periodic modulation of their bandgap. Excitons subjected to this potential landscape exhibit a band structure that gives rise to a quasi-particle dubbed moiré exciton. In the case of MoS$_2$/WSe$_2$ hetero-bilayers, the moiré trapping potential has honeycomb symmetry and, consequently, the moiré exciton band structure is the same as that of a Dirac-Weyl fermion, whose mass can be further tuned down to zero with a perpendicularly applied field. Here we show that, analogously to other Dirac-like particles, moiré exciton exhibits a trembling motion, also known as zitterbewegung, whose long timescales are compatible with current experimental techniques for exciton dynamics. This promotes the study of the dynamics of moiré excitons in van der Waals heterostructures as an advantageous solid-state platform to probe zitterbewegung, broadly tunable by gating and inter-layer twist angle.

cond-mat.other↗

arXiv2021

Signatures of sub-band excitons in few-layer black phosphorus

Recent experimental measurements of light absorption in few-layer black phosphorus (BP) reveal a series of high and sharp peaks, interspersed by pairs of lower and broader features. Here, we propose a theoretical model for these excitonic states in few-layer black phosphorus (BP) within a continuum approach for the in-plane degrees of freedom and a tight-binding approximation that accounts for inter-layer couplings. This yields excitonic transitions between different combinations of the sub-bands created by the coupled BP layers, which leads to a series of high and low oscillator strength excitonic states, consistent with the experimentally observed bright and dark exciton peaks, respectively. The main characteristics of such sub-band exciton states, as well as the possibility to control their energies and oscillator strengths via applied electric and magnetic fields, are discussed, towards a full understanding of the excitonic spectrum of few-layer BP and its tunability.

cond-mat.mes-hall↗

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

Wave-packet scattering at a normal-superconductor interface in two-dimensional materials: a generalized theoretical approach

A wave-packet time evolution method, based on the split-operator technique, is developed to investigate the scattering of quasi-particles at a normal-superconductor interface of arbitrary profile and shape. As a practical application, we consider a system where low energy electrons can be described as Dirac particles, which is the case for most two-dimensional materials, such as graphene and transition metal dichalcogenides. However the method is easily adapted for other cases such as electrons in few layer black phosphorus, or any Schrödinger quasi-particles within the effective mass approximation in semiconductors. We employ the method to revisit Andreev reflection in graphene, where specular and retro reflection cases are observed for electrons scattered by a step-like superconducting region. The effect of opening a zero-gap channel across the superconducting region on the electron and hole scattering is also addressed, as an example of the versatility of the technique proposed here.

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

Electrostatics of electron-hole interactions in van der Waals heterostructures

The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poissons equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed.

cond-mat.mtrl-sci↗

arXiv2017

Electrical control of inter-layer excitons in van der Waals heterostructures

We investigate excitons in stacked transition metal dichalcogenide (TMDC) layers under perpendicularly applied electric field, herein MoSe$_2$/WSe$_2$ van der Waals heterostructures. Band structures are obtained with density functional theory calculations, along with the electron and hole wave functions in conduction and valence bands, respectively. Although the type-II nature of the heterostructure leads to fully charge separated inter-layer excitons, charge carriers distribution among the layers is shown to be easily tunable by external field. Our results show that moderate values of electric field produce more evenly distributed wave functions along the heterostructure, thus enhancing both the inter-layer exciton binding energy and, most notably, its oscillator strength.

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↗

arXiv2015

Bound vortex states and exotic lattices in multi-component Bose-Einstein condensates: The role of vortex-vortex interaction

We numerically study the vortex-vortex interaction in multi-component homogeneous Bose-Einstein condensates within the realm of the Gross-Pitaevskii theory. We provide strong evidences that pairwise vortex interaction captures the underlying mechanisms which determine the geometric configuration of the vortices, such as different lattices in many-vortex states, as well as the bound vortex states with two (dimer) or three (trimer) vortices. Specifically, we discuss and apply our theoretical approach to investigate intra- and inter-component vortex-vortex interactions in two- and three-component Bose-Einstein condensates, thereby shedding light on the formation of the exotic vortex configurations. These results correlate with current experimental efforts in multi-component Bose-Einstein condensates, and the understanding of the role of vortex interactions in multiband superconductors.

cond-mat.quant-gas↗

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↗