Séminaire Théorie

Mardi 21 Mars 2017 à 14h00.

Multi-scale modeling of thermoelectric nanostructures

''Thermoelectric generator that are able to directly recycle the wasted heat energy could power autonomous micro/nano-systems. However, optimization of thermoelectric converters based on nanostructures requires a good understanding of electronic and thermal transport at the nanoscale. The widely used macroscopic models, i.e. the Fourier heat diffusion equation and drift diffusion formalisms, are not accurate in nanostructures smaller than the charge and thermal carrier mean free path. The presentation will detail numerical approaches that are able to consider out-of-equilibrium and quantum phenomena within a multiscale framework coupling atomistic methods (DFT, Molecular Dynamics…) and advanced heat and charge transport models based on Boltzmann and Non Equilibrium Green Function formalisms. A particular focus will be given to the interface transfer modeling which remains a major challenge. V. Hung Nguyen, Nguyen Mai-Chung, Nguyen Huy-Viet, Saint-Martin J., Dollfus P., "Enhanced thermoelectric figure of merit in vertical graphene junctions", Applied Physics Letters 105, 133105 (2014). Nghiêm-Thi Thu-Trang, Saint-Martin J., Dollfus P., "New insights into self-heating in double-gate transistors by solving Boltzmann transport equations", Journal of applied physics 116, 074514 (2014). D. Querlioz, J. Saint-Martin, K. Huet, A. Bournel, V. Aubry-Fortuna, C. Chassat, S. Galdin-Retailleau, P. Dollfus “On the ability of the particle Monte Carlo technique to include quantum effects in nano-MOSFET simulation” IEEE Transactions on Electron Devices 54 (9), 2232-2242 (2007).''