Laboratory
Laboratoire des Solides Irradiés
CNRS UMR7643
CEA-DRF-IRAMIS, Institut Polytechnique de Paris
Ecole Polytechnique
route de Saclay
91128 Palaiseau Cedex
Team Leader
Nathalie VAST
Permanant members
Olivier HARDOUIN DUPARC
Jelena SJAKSTE
Nathalie VAST
Scientific activity
Our fundamental research involves modeling materials, surfaces, interfaces and nanostructures to study their physical properties: atomic structure, defects, electronic properties, electronic transport, heat and thermoelectricity.
In particular, ab initio modeling based on density functional theory enables us to predict new crystal structures, study the effects of low-energy defects, and understand the coupling processes – electron-phonon, phonon-phonon – at work in the transport or relaxation of hot electrons.
The main themes are
- Materials and energy: electronic and thermal transport, and their coupling.
- In-silicon design: new materials and interfaces, defects and quantum properties.
- Plasmons on the quantum scale.
Numerical simulations enable comparisons with many types of experiment: electron or optical spectroscopy for electrons and phonons, lifetime measurements, atomic force microscopy, electronic and thermal conductivity, etc.
As part of the QuanTiP DIM, these skills are mobilized for quantum-scale modeling of point defects such as the nitrogen-lacunite center in diamond, in conjunction with experiments carried out at the LuMIn laboratory.