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Home   /   Post Doctorat   /   Integration of a first principles electronic stopping power in molecular dynamics simulations of collision cascades in semiconductors

Integration of a first principles electronic stopping power in molecular dynamics simulations of collision cascades in semiconductors

Abstract

In a radiative environment, the effects of atomic displacements can lead to the degradation of the performance of electronic and optoelectronic components. In the semiconductors constituting these components, they create defects at the atomic scale, which modify the number of free carriers and therefore alter the performance of the component.

In order to better understand the physical phenomena at the origin of these degradations, the displacement damage are well reproduced by simulation using classical molecular dynamics method. Nevertheless, a finer understanding of the influence of the electronic structure of the material on the number of defects created during the displacement cascade is necessary to have accurate simulations. For this, a model called electron-phonon EPH has been developed. The objective of this post-doctorate will be to feed this model with ab initio calculations and then to configure it in order to perform molecular dynamics simulations for several semiconductors used in current microelectronic technologies. The results obtained will be allow to better understand and improve the EPH model if necessary.

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