arXiv subjects

D. L. Azevedo

Publications and source records attributed to D. L. Azevedo.

4 recordsLinked to original sources

arXiv2025

On Nanocones as a Gravitational Analog System

This study delves into the fundamental properties of graphene and boron nitride (BN) nanostructures, exploring their torsional energy characteristics within the framework of Teleparallel Equivalent of General Relativity (TEGR). By constructing nanocones with disclination defects in these materials, we investigate the linear dependence of torsional energy on the disclination angle, as predicted by TEGR. The qualitative validation of TEGR's energy expression is supported by our simulations, which show a strong correlation between the torsional energy and the disclination angle, consistent with the theoretical predictions. Furthermore, we propose a quantitative analysis by estimating the coupling constant $k$ associated with TEGR through molecular simulations and Density Functional Theory (DFT) calculations. Our results suggest that $k$ reflects the interatomic forces within the materials, providing insights into the nature of spacetime and gravitational interactions on a microscopic scale. These findings not only contribute to our understanding of material physics but also offer implications for the precision and validity of TEGR in describing gravitational phenomena.

gr-qc↗

arXiv2020

Evidence for flat zero-energy bands in bilayer graphene with a periodic defect lattice

In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger unit cells (supercells), positioning a single carbon atom in the hollow position between the monolayers and periodically replicating the supercell. By increasing the size of the unit cell and consequently, the periodicity of the inserted atoms, we are able to minimize the carbon-carbon interaction and therefore infer the changes in the electronic, vibrational and thermal behavior of the bilayer when the intercalated atoms do not interact with each other. The main result, concerning the electronic properties, is the appearance of a doubly degenerate flat band at the Fermi level. These states are interpreted as coming from the periodic deformation of the bilayer due to the inserted atoms. It acts as a non-Abelian flux network creating zero energy at bands as predicted by San-Jose, González and Guinea in 2012. Since the periodic strain field associated to the defect array has such a strong influence on the electronic properties of the bilayer, it may be useful for practical applications. For instance, it can act as frozen-in magnetic-like field flux tubes. All-carbon nanostructures can then be designed to have electronic behavior at different regions tailored by the chosen defect pattern.

cond-mat.mes-hall↗

arXiv2008

Switching On Magnetism in Ni-doped Graphene

Magnetic properties of graphenic carbon nanostructures, relevant for future spintronic applications, depend crucially on doping and on the presence of defects. In this paper we study the magnetism of the recently detected substitutional Ni (Ni(sub)) impurities. Ni(sub) defects are non-magnetic in flat graphene and develop a non-zero magnetic moment only in metallic nanotubes. This surprising behavior stems from the peculiar curvature dependence of the electronic structure of Ni(sub). A similar magnetic/non-magnetic transition of Ni(sub) can be expected by applying anisotropic strain to a flat graphene layer.

cond-mat.mes-hall↗

arXiv2004

Nanopercolation

We investigate through direct molecular mechanics calculations the geometrical properties of hydrocarbon mantles subjected to percolation disorder. We show that the structures of mantles generated at the critical percolation point have a fractal dimension $d_{f} \approx 2.5$. In addition, the solvent access surface $A_{s}$ and volume $V_{s}$ of these molecules follow power-law behavior, $A_{s} \sim L^{α_A}$ and $V_{s} \sim L^{α_V}$, where $L$ is the system size, and with both critical exponents $α_A$ and $α_V$ being significantly dependent on the radius of the accessing probing molecule, $r_{p}$. Our results from extensive simulations with two distinct microscopic topologies (i.e., square and honeycomb) indicate the consistency of the statistical analysis and confirm the self-similar characteristic of the percolating hydrocarbons. Due to their highly branched topology, some of the potential applications for this new class of disordered molecules include drug delivery, catalysis, and supramolecular structures.

cond-mat.dis-nn↗