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
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
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
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]
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
The first annual meeting of the new GDR HOWDI will be held in Dourdan near Paris from May 9th to 13th 2022. It will be only on site, no live streaming is planned. The meeting is dedicated to the memory of François Ducastelle, who passed away last summer. The whole network remembers with deep affection his… Read More
We are happy to announce the new 2022 school on Many-Body methods and simulations with the Yambo code.The school will be held at ICTP in Trieste (Italy), it will start the 4th April 20 end 8th April. More information can be found here:http://indico.ictp.it/event/9780/overview Applications will open soon.
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