Author Archives: attacc

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]

Theoretical Spectroscopy Lectures

This yers I’m been invited to give a lecture at the “Theoretical Spectroscopy Lectures” that will be held in Lausanne from March 21st to March 25th.The school focuses on these points, covering theoretical, practical, and also numerical aspects of TDDFT and MBPT, and codes implementing them (ABINIT, DP, 2Light, EXC). -Spectroscopy techniques. Connection between microscopic… Read More

On-surface chemistry using local high electric fields

On-surface chemistry is a promising topic in nanoscience and is widely applied for the generation of a multitude of nanostructures and to the local chemical modification of adsorbed molecules in order to tune their properties or create layers with new functionalities. Using an electric field to control chemical reactions is a concept that has been… Read More

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