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


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


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


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