Fulvio Paleari

Short Bio

Dr. Fulvio Paleari is a Postdoctoral Researcher at CNR Nano since the end of 2021. Working on many-body theory and first-principles simulations, his interests include the spectroscopy and dynamics of excitons and phonons as well as electron-phonon coupling.

He graduated in Physics in 2015 at the University of Milano-Bicocca, under the supervision of Prof.

Gian Paolo Brivio.

This included a six-month research stay at the University of California-Irvine in the group of Prof. Ruqian Wu to work on magnetic anisotropy of metallic thing films using DFT techniques.

He then moved on to the University of Luxembourg, where he obtained his PhD in 2019 under the supervision of Prof. Ludger Wirtz. His thesis was about the exciton-dominated optical spectroscopy of low-dimensional material hexagonal boron nitride explored with the Bethe-Salpeter equation (a linear-response approach beyond DFT), especially focusing on exciton-phonon coupling and its signature in the luminescence spectrum.

He then continued until 2021 with a postdoctoral position at the CNR (Istituto di Struttura della Materia, Rome), where he worked on the theoretical foundations of exciton-phonon coupling as well as on the dynamical properties of phonons using also non-equilibrium Green’s function methods (an approach beyond linear response) under the supervision of Dr. Andrea Marini.

He is also a developer of scientific software: a member of the Yambo team (Yambo is a many-body, beyond-DFT code), and the main developer of yambopy, its python-based interface.

Beside his research interests, he is also an active organizer of science communication activities within the “eXtemporanea” group (https://scienceground.it/), collaborating with Festivaletteratura Mantova, the European Researchers’ night, and high schools.

Research Interests

Dr. Paleari is interested in both theoretical and computational techniques for the study of the microscopic properties of materials.

He focuses on the spectroscopy and excited-state physics of low–dimensional systems, and particularly on the interplay between electron–hole (excitons) and electron–phonon interactions, which can be investigated with many–body perturbation theory and and simulated with code implementations beyond DFT. These phenomena can greatly affect the spectral properties of many relevant materials.

Recently, he has also become interested in the description of extended systems out of equilibrium, namely the ultrafast dynamics of excited electrons and lattice vibrations, which theoretically may be described with a variety of approaches (from semiclassical equations to the nonequilibrium Green’s function) and numerically depend on a careful balance between approximations taken and desired accuracy.

Selected Recent Projects

Max Materials at the Exascale http://www.max-centre.eu/

Selected Publications

  1. Radiative lifetime of free excitons in hexagonal boron nitride”, Roux et al., Phys Rev B 104, L161203 (2021)
  2. “First-principles approaches to the description of indirect absorption and luminescence spectroscopy: exciton-phonon coupling in hexagonal boron nitride” Paleari, Doctoral Thesis, University of Luxembourg (2019)
  3. “Many–body perturbation theory calculations using the yambo code”, Sangalli et al., J. Phys. Condens. Matter 31, 32 (2019)
  4. Exciton-Phonon Coupling in the Ultraviolet Absorption and Emission Spectra of Bulk Hexagonal Boron Nitride”, Paleari, H. Miranda, A. Molina-Sánchez, and L. Wirtz, Phys. Rev. Lett. 122, 187401 (2019)
  5. Excitons in few–layer hexagonal boron nitride: Davydov splitting and surface localization”, Paleari, T. Galvani, H. Amara, F. Ducastelle, A. Molina-Sánchez, and L. Wirtz, 2D Materials 5, 4 (2018)
  6. “Direct and indirect excitons in boron nitride polymorphs: A story of atomic configuration and electronic correlation”, L. Sponza, H. Amara, C. Attaccalite, S. Latyl, T. Galvani, Paleari, L. Wirtz, and F. Ducastelle, Phys. Rev. B. 98, 125206 (2018).
  7. “Excitons in boron nitride single layer”, T. Galvani, F. Paleari, H. Miranda, A. Molina-Sanchez, L. Wirtz, S. Latyl, H. Amara, and F. Ducastelle, Phys. Rev. B. 94, 125303 (2016)