Category Archives: research

Two-photon absorption in two-dimensional crystals

In this work we combine tight-binding calculations of the two-photon transition probability with sophisticated ab-initio real-time Bethe-Salpeter simulations of the two-photon resonance third-order susceptibility. This combination is a unique feature of this work: on the one hand the tight-binding calculations allow us to identify the symmetry properties of the excitons, on the other hand the… Read More

Invisible excitons in hexagonal Boron Nitride

New talk for the conference “2D layered materials for opto-electronics: a theoretical/computational perspective” in Rome. In this work we study excitations in hexagonal Boron Nitride that are invisible in linear optical response. We show that these dark states can be measured with other spectroscopic techniques and they play an important roles in the luminescence response… Read More

Exciton interference in hexagonal boron nitride

Our new paper on exciton interference in hexagonal boron nitride is online. In this paper we show  that the excitonic peak  at finite momentum is formed by the superposition of two groups of transitions that we call KM and MK′ from the k-points involved in the transitions. These two groups contribute to the peak intensity… Read More

New talks at the 2017 ETSF conference in Frascati

Here my new two talks at the 2017 ETSF conference in Franscati. The first on Scientific Publishing and the SciPost journal where I will discuss the actual situation of the scientific publishing system and how new green open access journal, like SciPost, could change it. The second talk on the Lumen code, an ab-initio code… Read More

Phd Position at SIMaP

Computational study of MOFs for an efficient carbon capture Applications are invited for a fully funded 3-years PhD position to work on the electronic structure modeling of porous coordination polymers starting on October 1st 2017 and funded by the ANR ComputationalCarbonCapture. We propose to design novel families of MOFs whose high affinity for CO2 can… Read More

Modeling excitons in bulk and single-layer hBN

New paper on excitations in hexagonal Boron-Nitride. Core and low energy electronic excitations have been studied in hexagonal boron nitride by means of angular resolved electron energy loss spectroscopy and theoretical calculations. Paper: Angular resolved electron energy loss spectroscopy in hexagonal boron nitride Poster: Modeling excitons in bulk and single-layer hBN

What is the nature of the C-C complex in silicon? Insights from electronic structure calculations

In this work we studied the C-C defect complex in silicon. We used different approaches in such a way to identity the defect configuration responsible for the strong light emission in irradiated silicon. Our clues point towards a particular configuration, even if we suspect that in a damaged sample different type of complexes could be… Read More

Optical properties of extended systems within a current-current response formalism: tips and tricks

In this work we compare the optical absorption of extended systems calculated starting from the density-density and current-current linear response formalisms within the equilibrium many-body perturbation theory(MBPT). We show how, using the latter, one can incur in errors due to quasiparticle lifetimes, electron-hole interaction or the presence of a Drude tail. These errors are found… Read More

Théorie et Simulation Numérique at CINaM

At present I’m working in the TSN group   “Théorie et Simulation Numérique”  (Theory and numerical Simulations) at CINaM. If you want to know what people do in this group, have a look to this short presentation on our research activity. Contact us for possibility of master, PhD or post-doc positions.