Author Archives: attacc

Exciton-phonon coupling tutorial

A new tutorial on exciton-phonon coupling in Yambo is available. In this tutorial we will show how to generate exciton-phonon matrix elements and calculate phonon-assisted absorption and emission. In the last part of the tutorial the exciton-phonon matrix elements will be used to calculate exciton life-time. The tutorial is based on a preliminary version of… Read More

PhD position at CINaM/Aix-Marseille Université

PhD position at CINaM/Aix-Marseille Université on Theory of High-Harmonic Generation A PhD position is available in the Theory and Numerical Simulations group at CINaM, Marseille, France (see: under the supervision of Claudio Attaccalite , Aurélien Manchon and Fabienne Michelini (IM2NP). The expected start date from October/November 2023 or later. The PhD project will deal… Read More

Concours : Directeur de recherche au CNRS

Cette année, j’ai enfin réussi le concours de directeur de recherche du CNRS en section 3, après six tentatives.Dans cet article, je souhaite partager les différents projets de recherche et présentations que j’ai utilisés au fil des années, en espérant qu’ils puissent être utiles à d’autres candidats. Presentations: Electronic and optical properties of nano-materials (2023)… Read More

Electrical monitoring of organic crystal phase transition using MoS2 field effect transistor

Hybrid van der Waals heterostructures made of 2D materials and organic molecules exploit the high sensitivity of 2D materials to all interfacial modifications and the inherent versatility of the organic compounds. In this study, we are interested in the quinoidal zwitterion/MoS2 hybrid system in which organic crystals are grown by epitaxy on the MoS2 surface… Read More

GDR-HOWDI meeting on “Low Dimensional van der Waals Heterostructures”

Dear Colleague, Registration for the annual meeting on “Low Dimensional van der Waals Heterostructures“,organized by the GDR-HOWDI group is now open with the following price : Non-permanent researcher (subject to availability/complete pension/twin room): 270 € / persPermanent researcher (subject to availability/complete pension/single room): 550€ / pers The meeting will take place from 8 to 12… Read More

Luminescence in hexagonal boron nitride single layer: exciton-phonon coupling and the role of substrate

In this new work we study luminescence in monolayer hexagonal boron nitride (m-hBN) using a new ab-initio approach that takes into account the effects of atomic vibrations on the luminescence spectra. We construct the dynamical exciton-phonon self-energy, then use it to perturbatively correct the optical response functions and test this approach on bulk hBN as… Read More

Computational Material Science

Here you can find my new presentation on Computational Material Science. In the first part I brifely present Density Functional Theory (DFT) and Time-depdent Density Functional Theory (TD-DFT) and then different applications.Then I show how these methods can be coupled with “high throughput computing”, “evolutionary algorithms” and “machine learning”. Here the presentation in Libreoffice format:… Read More

Hétérostructures et interfaces de basse dimensionalité

Je organise un mini-colloque au 26ème Congrès Général SFP du 3 au 7 juillet 2023: Hétérostructures et interfaces de basse dimensionalité Organisateur : Claudio Attaccalite (CNRS/Université Aix-Marseille) Division Matière Condensée  Ce mini-colloque se concentrera sur les nouveaux phénomènes émergents qui se produisent aux interfaces et dans les nanostructures de basse dimensionalité. L’idée de ce mini-colloque… Read More

A squashed and squeezed h-BN

In this seminar I present new thoeretical and exparimental results on hexagonal-boron nitride under isotropic pressure and uni-axial strain. In particalar we focused on the changes in the optical response both absortion and emission. We show how exicton behave under these extreme conditions.The presentation can You can downloaded here: A squashed and squeezed h-BN [ODP]