Modeling SiGe through classical molecular dynamics simulations: chasing an appropriate empirical potential

L Martin and I Santos and P Lopez and LA Marques and M Aboy and L Pelaz, PROCEEDINGS OF THE 2018 12TH SPANISH CONFERENCE ON ELECTRON DEVICES (CDE) (2018).

We used classical molecular dynamics simulations to reproduce basic properties of Si, Ge and SiGe using different empirical potentials available in the literature. The empirical potential that offered the better compromise with experimental data was used to study the surface stability of these materials. We considered the (100), (100)2 x 1 and (111) surfaces, and we found the processing temperature range to avoid the structural degradation of studied surfaces.

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