Process Simulation - M3
The main goal of the following addressed topics is to understand the interfacial layer formed during the growth of materials as a function of their elaboration process parameters. The applied strategy is a bottom up multi-scale strategy where DFT data are used as input parameters in a kinetic Monte Carlo (kMC) methodology. The aim is to help experiments toward the elaboration of nanosctructured and tailored integrated materials, as a atomically precise technology.
A graphic interface has been also developed with the aim to provide a simulation platform for the deposition processes, as a user-friendly Technology Computer Aided Design tool, endowed with an atomistic granularity toward new Atomistic-TCAD.
- Growth of CuO on Al(111) in the context of integration of energetic materials into devices.
This work has been conducted by Mathilde Guiltat during her PhD (2013-2016).
An experimental support is provided by Dr. Sébastien Vizzini from IM2NP, in Marseille, France.
- Growth of Silica on Silicon substrate as a a thermal oxidation process.
This work has been conducted by Nicolas Salles in the context of a Postdoctoral fellow (2013-2016).
This work is conducted in the frame of a collaboration with Dr. Nicolas Richard from CEA-DAM, in Arpajon, France and with Pr. Normand Mousseau from the Université de Montréal, Québec, Canada.
This work leads in a new methodological development where DFT code has been coupled to ARTn methodology. The results obtained with DFT/ARTn coupling applied to thermal silicon oxidation has been published in The Journal of Chemical Physics in 2017.
Growth of alumina on aluminum
This work is conducted in the frame of collaboration with Dr. Dominique Costa, from Chimie-ParisTech, IRCP, in Paris, France.
The coupling between DFT/ARTn will be used.
- Formation of a Mg2Si silicide at the surface of silicon substrate
This work is developed in close collaboration with Dr. Sébastien Vizzini from IM2NP, in Marseille, France.