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MM: Fachverband Metall- und Materialphysik

MM 30: Poster Session II

MM 30.28: Poster

Dienstag, 17. März 2020, 18:15–20:00, P4

Nonequilibrium dynamics of laser excited SiC: Description of Laser excited SiC with the help of an electronic temperature dependent interatomic potential — •Malwin Xibraku, Bernd Bauerhenne, and Martin Garcia — Heinrich-Plett-Straße 40, 34132 Kassel

Silicon carbide (SiC) nanocrystals are of great interest in medicine, because of their pleasant properties, such as biocompability, high chemical and thermal stability. These nanocrystals can be very well generated using ultrashort laser pulses. Density Functional theory (DFT) has proven to be a appropriate tool to describe the influence of ultrashort laser pulses on solids due to the accurate quantum mechanical treatment of electrons. Due to the fact that 48 million particles are already contained in a cube SiC of side length 100 nm, such a system cannot be computed with DFT. Therefore, the aim of this work is to describe the forces between the atoms in the SiC cube by an effective electronic temperature (Te) dependent interatomic potential. Te is taken into account for including the effect of the laser-excited electrons. Recently, we found such a potential for silicon (Si) and carbon (C). In this work, a potential for siliconcarbite (SiC) was constructed. This potential reduces to the existing potentials for silicon (Si) or carbon (C), if only silicon (Si) or carbon (C) particles are present, respectively.