arXiv subjects

L. Rosales

Publications and source records attributed to L. Rosales.

At least 19 recordsLinked to original sources

arXiv2026

Transport properties and topological phase transitions for a Creutz-Su-Schrieffer-Heeger ladder

In this work, we investigate the electronic, topological, and transport properties of a Creutz-Su-Schrieffer-Heeger (CSSH) ladder. Using a tight-binding model within the Green's function formalism, we calculate the energy spectrum, local density of states (LDOS), and electronic transmission. We first determine the energy spectrum of the CSSH ladder and analyze the different topological phases present in the system, identifying one trivial phase and three distinct nontrivial regions. We then study electronic transport and show that the transmission reproduces the different topological phases through characteristic transport signatures. Finally, we derive the conditions for the emergence of non-topological flat bands and demonstrate that these bands also provide the necessary conditions for the formation of bound states in the continuum (BICs). Our results establish a direct connection between the topological properties, flat-band formation, and electronic transport in the CSSH ladder.

cond-mat.other↗

arXiv2026

Effects of random vacancies on the spin-dependent thermoelectric properties of silicene nanoribbon

The spin-dependent thermoelectric properties of silicene nanoribbon heterostructures are investigated, in which the central conductor contains a random distribution of vacancies and is connected to two pristine leads of the same material, placed in proximity to ferromagnetic insulators. The magnetic moments of the leads are analyzed in both parallel and antiparallel configurations. A tight-binding Hamiltonian and the Green's function formalism are employed to calculate the spin-resolved thermoelectric properties of the system as functions of geometrical confinement and vacancy concentration. The results demonstrate an enhancement in charge and spin-dependent thermopower, resulting in an improved thermoelectric efficiency at room temperature, which overcomes the limitations imposed by the classical Wiedemann-Franz law. These findings indicate that defective silicene nanoribbons are promising platforms for the development of efficient thermoelectric and spin-caloritronic devices.

cond-mat.mes-hall↗

arXiv2025

Strain-Induced Half-Metallicity and Giant Wiedemann-Franz Violation in Monolayer NiI$_2$

Reversible control of spin-dependent thermoelectricity via mechanical strain provides a platform for next-generation energy harvesting and thermal logic circuits. Using first-principles and Boltzmann transport calculations, we demonstrate that monolayer NiI$_2$ undergoes a strain-driven semiconductor-to-half-metal transition, enabled by the selective closure of its spin-down band gap while preserving a robust ferromagnetic ground state. Remarkably, this transition is accompanied by a giant, non-monotonic violation of the Wiedemann-Franz law, with the Lorenz number enhanced up to $7.17\,L_0$. This anomaly arises from a strain-sensitive hybridization between Ni-$d$ and I-$p$ orbitals, leading to spin-polarized transport channels and decoupling of heat and charge currents. These properties make NiI$_2$ a promising candidate for mechanically gated spin-caloritronic devices and thermal logic elements, where reversible control of heat and spin flow is essential. Our findings position NiI$_2$ as a model system for exploring non-Fermi-liquid transport and for realizing strain-tunable, energy-efficient functionalities in low-dimensional platforms.

cond-mat.mes-hall↗

arXiv2024

Symmetry-enforced metal-insulator transition and topological adiabatic charge pump in sliding bilayers of threefold symmetric materials

Sliding bilayers are systems that exploit the possibility of relatively translating two monolayers along a specific direction in real space, such that different stackings could be implemented in the process. This simple approach allows for manipulating the electronic properties of layered materials similarly as in twisted multilayers. In this work, the sliding of bilayers, composed of one type of monolayer with spatial symmetry described by space group P$\bar{3}1m$ is studied. Using a minimal tight-binding model along with symmetry analysis, we propose two effects that arise in a specific sliding direction. First, the sliding-induced control of the band gap magnitude, which produces a metal-insulator transition, is demonstrated. In addition, the potential to achieve a topological adiabatic charge pump for cyclic sliding is discussed. For each effect, we also present material implementations using first-principles calculations. Bilayer GaS is selected for the metal-insulator transition and bilayer transition metal dichalcogenide ZrS$_2$ is found to display the topological pump effect. Both realizations show good agreement with the predictions of the model.

cond-mat.mes-hall↗

arXiv2024

Uncovering Bound States in the Continuum in InSb nanowire networks

Bound states in the continuum (BICs) are exotic, localized states even though their energy lies in the continuum spectra. Since its discovery in 1929, the quest to unveil these exotic states in charge transport experiments remains an active pursuit in condensed matter physics. Here, we study charge transport in InSb nanowire networks in the ballistic regime and subject to a perpendicular magnetic field as ideal candidates to observe and control the appearance of BICs. We find that BICs reveal themselves as distinctive resonances or antiresonances in the conductance by varying the applied magnetic field and the Fermi energy. We systematically consider different lead connections in hashtag-like nanowire networks, finding the optimal configuration that enhances the features associated with the emergence of BICs. Finally, the investigation focuses on the effect of the Rashba spin-orbit interaction of InSb on the occurrence of BICs in nanowire networks. While the interaction generally plays a detrimental role in the signatures of the BICs in the conductance of the nanowire networks, it opens the possibility to operate these nanostructures as spin filters for spintronics. We believe that this work could pave the way for the unambiguous observation of BICs in charge transport experiments and for the development of advanced spintronic devices.

cond-mat.mes-hall↗

arXiv2023

The role of Coulomb interaction on the electronic properties of monolayer NiX$_2$ (X = S, Se): A DFT+U+V study

The electronic structure of Nickel dichalcogenides, NiS$_2$ and NiSe$_2$, in monolayer form, is studied employing first-principles methods. We assess the importance of band ordering, covalency and Coulomb interactions in the ground state of these systems. Hybrid functional results are compared with standard functionals and also with Hubbard-corrected functionals to systematically address the role of electronic interactions and localization. We found that mean-field correlation realized by intersite Hubbard interactions are directly linked to the magnitude of the energy band gap, giving compelling evidence for the presence of a charge transfer insulating phase in these materials.

cond-mat.mes-hall↗

arXiv2021

Josephson and persistent currents in a quantum ring between topological superconductors

In this work, we investigate the spectra in an Aharonov-Bohm quantum-ring interferometer forming a Josephson junction between two topological superconductors (TSC) nanowires. The TSCs host Majorana bound states at their edges, and both the magnetic flux and the superconducting phase difference between the TSCs are used as control parameters. We use a tight-binding approach to model the quantum ring coupled to both TSCs, described by the Kitaev effective Hamiltonian. We solve the problem by means of exact numerical diagonalization of the Bogoliubov-de Gennes (BdG) Hamiltonian and obtain the spectra for two sizes of the quantum ring as a function of the magnetic flux and the phase difference between the TSCs. Depending on the size of the quantum ring and the coupling, the spectra display several patterns. Those are denoted as line, point and undulated nodes, together with flat bands, which are topologically protected. The first three patterns can be possibly detected by means of persistent and Josephson currents. Hence, our results could be useful to understand the spectra and their relation with the behavior of the current signals.

cond-mat.mes-hall↗

arXiv2021

Spin and valley filter based on two-dimensional WSe$_2$ heterostructures

In this work, we investigate spin and valley transport properties of a WSe$_2$ monolayer placed on top of a ferromagnetic insulator. We are interested in controlling the transport properties by applying external potentials to the system. To obtain spin an valley polarizations, we have considered a single and a double barrier structure with gate potentials. We have analyzed how the efficiency of these polarized transport properties depend on the gate-potential intensities and geometrical configurations. Additionally, we investigate how the spin and valley transport properties are modified when an ac-potential is applied to the system. We have obtained a controllable modulation of the spin and valley polarizations as a function of the intensity and frequency of the ac-potential, mainly in the terahertz range. These results validate the proposal of double quantum well structures of WSe$_2$ as candidates to provide spin and valley dependent transport within an optimal geometrical parameter regime.

cond-mat.mes-hall↗

arXiv2019

Fingerprints of Majorana bound states in quantum-rings

In this work, we investigate a quantum-ring coupled to a topological superconductor, hosting Majorana bound states (MBSs). We study the MBSs effects over the spectrum and persistent current along the quantum-ring. To obtain physical quantities, we employ the Green's function formalism. We found that the presence of MBSs leads to dramatic changes in the quantum-ring spectrum by inducing particle-hole symmetry. On the other hand, we have obtained a substantial reduction of the persistent current in the strong coupling limit between ring and MBSs depending on the ring parity. These behaviors provide a measurable signature of MBSs. Our findings could be used as additional information on MBSs presence in these quantum systems.

cond-mat.mes-hall↗

arXiv2019

Tunable spin-polarized edge currents in proximitized transition metal dichalcogenides

We explore proximity-induced ferromagnetism on transition metal dichalcogenide (TMD), focusing on molybdenum ditelluride (MoTe$_{2}$) ribbons with zigzag edges, deposited on ferromagnetic europium oxide (EuO). A three-orbital tight-binding model incorporates the exchange and Rashba fields induced by proximity to the EuO substrate. For in-gap Fermi levels, electronic modes in the nanoribbon are strongly spin-polarized and localized along the edges, acting as one-dimensional (1D) conducting channels with tunable spin-polarized currents. Hybrid structures such as the MoTe$_{2}$/EuO configuration can serve as building blocks for spintronic devices, and provide versatile platforms to further understand proximity effects in diverse materials systems.

cond-mat.mes-hall↗

arXiv2017

Stacking change in MoS$_{2}$ bilayers induced by interstitial Mo impurities

We use a theoretical approach to reveal the electronic and structural properties of molybdenum impurities between MoS$_{2}$ bilayers. We find that interstitial Mo impurities are able to reverse the well-known stability order of the pristine bilayer, because the most stable form of stacking changes from AA' (undoped) into AB (doped). The occurrence of Mo impurities in different positions shows their split electronic levels in the energy gap, following octahedral and tetrahedral crystal fields. The energy stability is related to the accommodation of Mo impurities compacted in hollow sites between layers. Other less stable configurations for Mo dopants have larger interlayer distances and band gaps than those for the most stable stacking. Our findings suggest possible applications such as exciton trapping in layers around impurities, and the control of bilayer stacking by Mo impurities in the growth process.

cond-mat.mtrl-sci↗

arXiv2017

Spin and charge caloritronics in bilayer graphene flakes with magnetic contacts

We investigate the coupling of spin and thermal currents as a means to rise the thermoelectric efficiency of nanoscale graphene devices. We consider nanostructures composed of overlapping graphene nanoribbons with ferromagnetic contacts in different magnetic configurations. Our results show that the charge Seebeck effect is greatly enhanced when the magnetic leads are in an antiparallel configuration, due to the enlargement of the transport gap. However, for the optimization of the charge figure of merit ZT it is better to choose a parallel alignment of the magnetization in the leads, because the electron-hole symmetry is broken in this magnetic configuration. We also obtain the spin-dependent Seebeck coefficient and spin figure of merit. In fact, the spin ZT can double its value with respect to the charge ZT for a wide temperature range, above 300 K. These findings suggest the potential value of graphene nanosystems as energy harvesting devices employing spin currents.

cond-mat.mes-hall↗

arXiv2017

Spin-polarized electric current in silicene nanoribbons induced by atomic adsorption

We investigate the nonequilibrium transport properties of a silicene armchair nanoribbon with a random distribution of adsorbed atoms in apex positions. A ferromagnetic insulator grown below the nanoribbon splits spin-up and spin-down electron bands and gives rise to a spin polarization of the conductance. The conductance vanishes when the Fermi energy matches the adatom levels due to the coupling of adatom localized states with the continuum spectra of the nanoribbon. This is the well-known Fano effect, resulting in a spin-dependent antiresonance in the conductance. The different antiresonance energies of spin-up and spin-down electrons give rise to a full spin polarization of the conductance in a broad energy window. This spin-dependent Fano effect opens the possibility to using it in spintronics as a tuneable source of polarized electrons.

cond-mat.mes-hall↗

arXiv2016

Photon-assisted transport in bilayer graphene flakes

The electronic conductance of graphene-based bilayer flake systems reveal different quantum interference effects, such as Fabry-Pérot resonances and sharp Fano antiresonances on account of competing electronic paths through the device. These properties may be exploited to obtain spin-polarized currents when the same nanostructure is deposited above a ferromagnetic insulator. Here we study how the spin-dependent conductance is affected when a time-dependent gate potential is applied to the bilayer flake. Following a Tien-Gordon formalism we explore how to modulate the transport properties of such systems via appropriate choices of the $ac$-field gate parameters. The presence of the oscillating field opens the possibility of tuning the original antiresonances for a large set of field parameters. We show that interference patterns can be partially or fully removed by the time-dependent gate voltage. The results are reflected in the corresponding weighted spin polarization which can reach maximum values for a given spin component. We found that differential conductance maps as functions of bias and gate potentials show interference patterns for different $ac$-field parameter configurations. The proposed bilayer graphene flake systems may be used as a frequency detector in the THz range.

cond-mat.mes-hall↗

arXiv2015

Electron Confinement Induced by Diluted Hydrogen-like Ad-atoms in Graphene Ribbons

We report the electronic properties of two-dimensional systems made of graphene nanoribbons which are patterned with ad-atoms in two separated regions. Due to the extra electronic confinement induced by the presence of the impurities, we find resonant levels, quasi-bound and impurity-induced localized states, which determine the transport properties of the system. Regardless of the ad-atom distribution in the system, we apply band-folding procedures to simple models and predict the energies and the spatial distribution of those impurity-induced states. We take into account two different scenarios: gapped graphene and the presence of randomly distributed ad-atoms in a low dilution regime. In both cases the defect-induced resonances are still detected. Our findings would encourage experimentalist to synthesize these systems and characterize their quasi-localized states employing, for instance, scanning tunneling spectroscopy (STS). Additionally, the resonant transport features could be used in electronic applications and molecular sensor devices.

cond-mat.mes-hall↗

arXiv2014

Bound states in the continuum: localization of Dirac-like fermions

We report the formation of bound states in the continuum for Dirac-like fermions in structures composed by a trilayer graphene flake connected to nanoribbon leads. The existence of this kind of localized states can be proved by combining local density of states and electronic conductance calculations. By applying a gate voltage, the bound states couple to the continuum, yielding a maximum in the electronic transmission. This feature can be exploited to identify bound states in the continuum in graphene-based structures.

cond-mat.mes-hall↗

arXiv2013

Molecular sensor based on graphene nanoribbons

In this work we study thermoelectric properties of graphene nanoribbons with side-attached organic molecules. By adopting a single-band tight binding Hamiltonian and the Green's function formalism, we calculated the transmission and Seebeck coefficients for different hybrid systems. The corresponding thermopower profiles exhibit a series of sharp peaks at the eigenenergies of the isolated molecule. We study the effects of the temperature on the thermoelectric response, and we consider random configurations of molecule distributions, in different disorder regimes. The main characteristics of the thermopower are not destroyed under temperature and disorder, indicating the robustness of the system as a proposed molecular thermo-sensor device.

cond-mat.mes-hall↗

arXiv2013

Spin-Polarized Electrons in Bilayer Graphene Flakes

We show that a bilayer graphene flake deposited above a ferromagnetic insulator can behave as a spin-filtering device. The ferromagnetic material induces exchange splitting in the graphene flake, and due to the Fano antiresonances occurring in the transmission of the graphene flake as a function of flake length and energy, it is possible to obtain a net spin current. This happens when an antiresonance for one spin channel coincides with a maximum transmission for the opposite spin. We propose these structures as a means to obtain spin-polarized currents and spin filters in graphene-based systems.

cond-mat.mes-hall↗