Training

On Wednesday afternoon, training modules devoted to thin films, by Philippe Lecoeur and Julien Chaste, from Centre de Nanosciences et de Nanotechnologies.

Module 1 will be devoted more specifically to the growth of the thin films, and Module 2 to metroloogy applied to thin films.

On Thursday morning, 3 training modules will be devoted to computational physics/chemistry, by Jelena Sjakste from Laboratoire des Solides Irradiés and Jérôme Saint-Martin from Centre de Nanosciences et de Nanotechnologies.

 The introduction Module 1 (60 mn) will explain how to compute the Seebeck coefficient in materials and devices and will span numerical methods for electron and phonon transports such as the finite element method (TCAD) for devices, the Boltzmann transport equations (BTE) for the semiclassical formalism, the Landauer formalism and the non-equilibrium Green’s functions for quantum simulations of coherent transport. Most of these methods rely on data about materials that coming from models fit on the experiments, or come from the density functional theory (DFT).

 Module 2 (40 mn) will provide an introduction to DFT and density functional perturbation theory (DFPT), targeting efficient extrapolations to compute the electron structure (Wannier interpolation), the phonon dispersion (extrapolation with the Fourier transform method).

 Module 3 (1h30) will deals with methods and codes to compute and interpolate the electron-phonon coupling and the phonon-phonon interaction, and present limitations of the existing codes.