CNPEM/Ilum-Max Planck meeting and INCT Materials Informatics annual meeting

This week I am at CNPEM in Campinas for two back-to-back meetings, along with experts from diverse fields in materials science, computational physics, and informatics, to discuss the latest research, innovative methodologies, and applications in electronic structure theory and computational materials science.

The first one is the CNPEM/ILUM – Max Planck Meeting on Electronic Structure Methods and Materials Informatics, which is an international collaborative event that brings together researchers from Brazil’s National Institute of Science and Technology (INCT) for Materials Informatics and the Max Planck Institute. The meeting will focus on advancing electronic structure methods and fostering breakthroughs in materials informatics, and I will deliver an invited talk entitled “Computing the thermal conductivity of a-Ge2Sb2Te5 with neural network potentials: Molecular dynamics versus Wigner transport equation”, in which I will present some of the lates results from my collaboration at Sapienza.

The second event is the Annual Meeting of the INCT for Materials Informatics, of which I have been a member since its inception a couple of years ago. In the anual meetings several participants present their latest developments and we plan our future work. I am sure this will be a very productive and enjoyable week.

New paper: Consensus effects of social media synthetic influence groups on scale-free networks

Our latest publication of 2025 “Consensus effects of social media synthetic influence groups on scale-free networks” has just appeared in Chaos, Solitons & Fractals.

Online platforms for social interactions are an essential part of modern society. With the advance of technology and the rise of AI algorithms, content is now filtered systematically, facilitating the formation of filter bubbles. This work investigates the social consensus under limited visibility in a two-state majority-vote model on Barabási–Albert scale-free networks. In the consensus evolution, each individual assimilates the opinion of the majority of their neighbors with probability (1-q) and disagrees with chance q, known as the noise parameter. We define a visibility parameter as the probability of an individual considering the opinion of a neighbor at a given interaction. This parameter enables us to model the limited visibility phenomenon that produces synthetic neighborhoods in online interactions. We employ Monte Carlo simulations and finite-size scaling analysis to obtain the critical noise parameter as a function of the visibility and the network growth parameter. We also find the critical exponents of the system and validate the unitary relation for complex networks. Our analysis shows that installing and manipulating synthetic influence groups critically undermines consensus robustness, leading to serious consequences in the modern society.

Although this is not our main line of work, it is a type of problem I also enjoy working on. The results stem from the work of graduate student Giuliano Porciúncula, who is supervised by my colleague André L. M. Vilela at UPE.

XXXVIII Encontro de Física do Norte e Nordeste

Encontro de Física do Norte e Nordeste (North and northeast physics meeting) promoted by the Brazilian Physical Society is the second largest Physics meeting in Brazil, gathering more than 500 researchers from the north and northeast regions of Brazil. In 2025, the event takes place in the beautiful costal city of Aracaju, from 25 to 27 of November.

In this edition the Transport & Nanostructures Group is represented by doctoral students Higo de Araujo Oliveira and Diego Bruno da Fonseca who will present their latest developments on “Tuning Thermal Transport: Investigating Defect Shape Variations in Silicon Phononic Crystals” and “Lévy flight for electrons in graphene“, respectively.

New publication in Physical Review B – Lévy flight for electrons in graphene in the presence of regions with enhanced spin-orbit coupling

Our latest paper of 2024 “Lévy flight for electrons in graphene in the presence of regions with enhanced spin-orbit coupling”  has just appeared in Physical Review B.

In this work, we propose an electronic Lévy glass built from graphene nanoribbons in the presence of regions with enhanced spin-orbit coupling. Although electrons in graphene nanoribbons present a low spin-orbit coupling strength, it can be increased by a proximity effect with an appropriate substrate. We consider graphene nanoribbons with different edge types, which contain circular regions with a tunable Rashba spin-orbit coupling, whose diameter follows a power-law distribution. We find that spin-orbital clusters induce a transition from superdiffusive to diffusive charge transport, similar to what we recently reported for nanoribbons with electrostatic clusters [Phys. Rev. B 107, 155432 (2023)]. We also investigate spin polarization in the spin-orbital Lévy glasses, and show that a finite spin polarization can be found only in the superdiffusive regime. In contrast, the spin polarization vanishes in the diffusive regime, making the electronic Lévy glass a useful device whose electronic transmission and spin polarization can be controlled by its Fermi energy. Finally, we apply a multifractal analysis to charge transmission and spin polarization, and find that the transmission time series in the superdiffusive regime are multifractal, while they tend to be monofractal in the diffusive regime. In contrast, spin polarization time series are multifractal in both regimes, characterizing a marked difference between mesoscopic fluctuations of charge transport and spin polarization in the proposed electronic Lévy glass.

The results stem from the work of new Ph.D student Diego B. Fonseca, which is co-supervised by Anderson L. R. Barbosa at UFRPE.

New publication in Physical Review Materials – Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons

Our latest publication “Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons” has just been accepted for publication in Physical Review Materials.

In this work we investigate the dependence of the thermal conductivity (TC) of twisted graphene nanoribbons (TGNRs) on the number of applied turns to the GNR by calculating more precise and mathematically well defined geometric parameters related to the TGNR shape, namely, its twist and writhe. We show that the dependence of the TC on twist is not a simple function of the number of turns initially applied to a straight GNR. In fact, we show that the TC of TGNRs requires at least two parameters to be properly described. Our conclusions are supported by atomistic molecular dynamics simulations to obtain the TC of suspended TGNRs prepared under different values of initially applied turns and different sizes of their suspended part. Among possible choices of parameter pairs, we show that TC can be appropriately described by the initial number of turns and the initial twist density of the TGNRs.

The work is a collaboration with Alexandre Fonseca at UNICAMP.

New publication in ACS Applied Nano Materials – Tuning the thermal conductivity of silicon phononic crystals

Our first paper of 2024 “Tuning the thermal conductivity of silicon phononic crystals via different defect motifs: Implications for thermoelectric devices and photovoltaics” has just been accepted for publication in ACS Applied Nano Materials, where it will be part of a Forum Focused on South American Authors jointly published with ACS Applied Materials & Interfaces. This joint special issue will be a collection of articles published in a single issue of the journal authored by leaders of applied materials in South America. Apparently, for editorial reasons this volume of the journal was published with 2025 as year of publication 🤷‍♂️.

In this publication we investigate the thermal conductivity of silicon phononic crystals, materials with a periodic arrangement of modifications which can be tailored to control their thermal conductivity. The introduction of intermediate-sized pores in silicon membranes can reduce their lattice thermal conductivity and increase their thermoelectric efficiency, as long as the pores are not too small to interfere with electron transport, nor too large to cause structural instabilities in the material. We consider thin silicon membranes and structures with holes of different sizes and shapes, forming phononic crystals with different defect motifs, and calculate their thermal conductivity along the [110] and [-110] crystalline directions, with the homogeneous non-equilibrium molecular dynamics method. We find that for the hole sizes considered the thermal conductivity is a logarithmically decreasing function of the defect area, independent of defect shape and transport direction, and verify that the thermal conductivity of silicon phononic crystals is ultimately limited by the neck size, which is the smallest distance between two adjacent defects, in agreement with the literature. However, our results also show that the dependence of the conductivity with neck size follows a power law along the [110] direction, but shows an exponential dependence along the [-110] direction. We attribute this difference to the scattering of phonons by surface dimers which originate in the 2×1 reconstruction of the silicon [001] surface, and are oriented along the [-110], acting as resonators which can scatter phonon more efficiently along that direction. Those findings are relevant for the design of thermoelectric devices and thermal barriers in photovoltaic cells.

The results stem from Higo de Araujo Oliveira mater’s thesis, and it is the first graduate thesis from our group since we moved to UFPE in 2020. It is also another great result from our ongoing collaboration with Ari Harju and Zheyong Fan, both currently at Varian Medical Systems in Finland.

New Ph.D. student – Diego B. Fonseca

This month we officially welcome a new Ph.D. student in the Transport & Nanostructures group. Diego B. Fonseca joins us after completing his undergraduate and M.Sc. degrees at nearby UFRPE, where he was supervised by our collaborator Anderson L. R. Barbosa, who also will serve as Diego’s co-supervisor at the Physics Graduate Program at UFPE. In fact, the three of us already share one publication in Physical Review B related to his master’s dissertation “Lévy flight for electrons in graphene: Superdiffusive-to-diffusive transport transition“, and another one is on the way. In our group, Diego will continue to work on electron and spin transport in graphene-based nanostructures, and we are sure he will keep up with his excellent work, leading to a successful doctoral degree in a few years.

XI Brazilian Meeting on Simulational Physics

This week I am giving a presentation at the XI Brazilian Meeting on Simulational Physics. This eleventh edition will take place at Universidade Federal de Minas Gerais, where the meeting started a few decades ago, but it also includes a few online presentations. Traditionally, the BMSP gathers scientists specialized in simulation in the most diverse areas of physics, chemistry, biology and materials science, who present the latest advances in methodology and techniques applied to the study of problems through computer simulations. The meeting also promotes interaction among scientists working in this area, with the goal of advancing the methods and techniques available today.

In my online presentation, entitled “Wave transmission and its fluctuations in superlattices with Lévy-like disorder” I will present some of our recent results on the transmission of Schrödinger, Klein-Gordon and Dirac waves in the presence of disorder following a Lévy distribution, as well as its application in a graphene Lévy glass.

M.Sc. defense – Higo Oliveira

Graduate student Higo de Araujo Oliveira, defended his master’s thesis on Thursday (21.09.2023) in a virtual auditorium via google meet. The thesis, entitled “Thermal conductivity calculation in Si membranes: a Homogeneous Non Equilibrium Molecular Dynamics approach”, employed advanced computer simulation techniques to calculate the thermal conductivity of silicon membranes, including the presence of defects forming the so-called phononic crystals.

Higo was the first member of TNG at UFPE, and has been with us since 2021. During the last 2+ years he mastered fundamental aspects of molecular dynamics simulations and thermal transport calculations. He also has enough results for a publication. We are very proud of his development as a scientist and look forward to his continued success as a doctoral student in our group.

Sabbatical at Sapienza University of Rome

In September I started a sabbatical leave during which I will be at Dipartimento di Fisica of Sapienza Università di Roma. A sabbatical period is an extraordinary opportunity to focus on novel challenging issues while visiting a new institute, and experiencing a new academic atmosphere, free of heavy teaching and administrative duties. For the next 12 months I will be working in the quantum theory of materials group, hosted by Francesco Mauri, focusing on thermal transport in novel materials.