arXiv subjects

Olga Arroyo-Gascón

Publications and source records attributed to Olga Arroyo-Gascón.

7 recordsLinked to original sources

arXiv2026

Chaos and Diffusion in Twisted Bilayer Graphene

We numerically analyze chaos and diffusion in experimentally-relevant models of twisted bilayer graphene. Our results indicate that finite systems at both commensurate and incommensurate rotation angles exhibit chaos. We compute the Thouless energy of the system at intermediate twist angles to further understand the diffusive processes associated with the chaotic nature of the spectrum. We find that the mean free path of the non-interacting electrons scales with the system size, which is consistent with diffusive processes caused by border-induced scattering. In summary, our results show the role of borders as a experimentally relevant single-particle scattering mechanism, which is much stronger than in single-layer graphene and induces chaos and diffusion regardless of the rotation angle and the lattice commensurability.

cond-mat.mes-hall↗

arXiv2025

Two-dimensional orbital-obstructed insulators with higher-order band topology

Obstructed atomic phases, with their realizations in systems of diverse dimensionality, have recently arisen as one of the topological states with greatest potential to show higher-order phenomena. In this work we report a special type of obstruction, known as orbital-mediated atomic obstruction, in monolayers of materials with spatial symmetry described by the space group $P$-$3m1$. By means of a minimal tight-binding model and first-principles calculations, we show that this obstructed phase is related to the mismatch of the charge centers coming from the atomic limit with respect to the centers that are obtained from a reciprocal space description. Although we find atomic limits that correspond with occupied atomic sites, orbital-mediated atomic obstruction requires the presence of orbitals that have no support in real space. In order to demonstrate the nontrivial character of the obstruction, we confirm the presence of a filling anomaly for finite geometries that is directly associated with the bulk configuration, and discuss the role of the boundary states and their underlying mechanism. Several material examples are presented to illustrate the ubiquity of these nontrivial responses and, in turn, to discuss the differences related to the particular ground state configuration. In addition, we perform a survey of materials and elaborate a list of candidate systems which will host this obstructed phase in monolayer form.

cond-mat.mes-hall↗

arXiv2025

Fractional corner charges in threefold-symmetric two-dimensional materials with fragile topology

We perform a systematic study of the signatures of fragile topology in over 50 nonmagnetic two-dimensional materials with formula AB$_2$, belonging to space group $P$-$3m1$. Using group theory analysis in the framework of topological quantum chemistry, we find fragile bands near the Fermi level for all the materials studied. Since stable topological bands are also present in these systems, the interplay of both phases is discussed, showing that corner charges appear in over 80% of the materials and are linked to fragile topology. Using first-principles calculations, we predict fractionally-charged corner charges protected by $C_3$ symmetry. Our work aims to broaden the scope of materials with experimentally accessible fragile bands.

cond-mat.mes-hall↗

arXiv2023

Polarization-tuneable excitonic spectral features in the optoelectronic response of atomically thin ReS2

The low crystal symmetry of rhenium disulphide (ReS2) leads to the emergence of dichroic optical and optoelectronic response, absent in other layered transition metal dichalcogenides, which could be exploited for device applications requiring polarization resolution. To date, spectroscopy studies on the optical response of ReS2 have relied almost exclusively in characterization techniques involving optical detection, such as photoluminescence, absorbance, or reflectance spectroscopy. However, to realize the full potential of this material, it is necessary to develop knowledge on its optoelectronic response with spectral resolution. In this work, we study the polarization-dependent photocurrent spectra of few-layer ReS2 photodetectors, both in room conditions and at cryogenic temperature. Our spectral measurements reveal two main exciton lines at energies matching those reported for optical spectroscopy measurements, as well as their excited states. Moreover, we also observe an additional exciton-like spectral feature with a photoresponse intensity comparable to the two main exciton lines. We attribute this feature, not observed in earlier photoluminescence measurements, to a non-radiative exciton transition. The intensities of the three main exciton features, as well as their excited states, modulate with linear polarization of light, each one acquiring maximal strength at a different polarization angle. We have performed first-principles exciton calculations employing the Bethe-Salpeter formalism, which corroborate our experimental findings. Our results bring new perspectives for the development of ReS2-based nanodevices.

cond-mat.mtrl-sci↗

arXiv2023

Universality of moiré physics in collapsed chiral carbon nanotubes

We report the existence of moiré patterns and magic angle physics in all families of chiral collapsed carbon nanotubes. A detailed study of the electronic structure of all types of chiral nanotubes, previously collapsed via molecular dynamics, has been performed. We find that each family possesses a unique geometry and moiré disposition, as well as a characteristic number of flat bands. Remarkably, all kinds of nanotubes behave the same with respect to magic angle tuning, showing a monotonic behavior that gives rise to magic angles in full agreement with those of twisted bilayer graphene. Therefore, magic angle behavior is universally found in chiral collapsed nanotubes with a small chiral angle, giving rise to moiré patterns. Our approach comprises first-principles and semi-empirical calculations of the band structure, density of states and spatial distribution of the localized states signaled by flat bands.

cond-mat.mtrl-sci↗

arXiv2022

Persistence of symmetry-protected Dirac points at the surface of the topological crystalline insulator SnTe upon impurity doping

We investigate the effect of a non-magnetic donor impurity located at the surface of the SnTe topological crystalline insulator. In particular, the changes on the surface states due to a Sb impurity atom are analyzed by means of ab initio simulations of pristine and impurity-doped SnTe. Both semi-infinite and slab geometries are considered within the first-principles approach. Furthermore, minimal and Green's function continuum models are proposed with the same goal. We find that the Dirac cones are shifted down in energy upon doping; this shift strongly depends on the position of the impurity with respect to the surface. In addition, we observe that the width of the impurity band presents an even-odd behavior by varying the position of the impurity. This behavior is related to the position of the nodes of the wave function with respect to the surface, and hence it is a manifestation of confinement effects. We compare slab and semi-infinite geometries within the ab initio approach, demonstrating that the surface states remain gapless and their spin textures are unaltered in the doped semi-infinite system. In the slab geometry, a gap opens due to hybridization of the states localized at opposite surfaces. Finally, by means of a continuum model, we extrapolate our results to arbitrary positions of the impurity, clearly showing a non-monotonic behavior of the Dirac cone.

cond-mat.mes-hall↗

arXiv2021

One-dimensional moiré superlattices and flat bands in collapsed chiral carbon nanotubes

We demonstrate that one-dimensional moiré patterns, analogous to those found in twisted bilayer graphene, can arise in collapsed chiral carbon nanotubes. Resorting to a combination of approaches, namely, molecular dynamics to obtain the relaxed geometries and tight-binding calculations validated against ab initio modeling, we find that magic angle physics occur in collapsed carbon nanotubes. Velocity reduction, flat bands and localization in AA regions with diminishing moiré angle are revealed, showing a magic angle close to 1$^{\rm o}$. From the spatial extension of the AA regions and the width of the flat bands, we estimate that many-body interactions in these systems are stronger than in twisted bilayer graphene. Chiral collapsed carbon nanotubes stand out as promising candidates to explore many-body effects and superconductivity in low dimensions, emerging as the one-dimensional analogues of twisted bilayer graphene.

cond-mat.mtrl-sci↗