The growth of the semiconductor compound BaS is being studied using atomistic methods and mesoscopic theoretical modeling. Material properties such as phase densities, enthalpies, specific latent heat, Gibbs free energy difference, liquid diffusion coefficient, interfacial free energies, and stiffness for different crystal faces of the crystal lattice of BaS are obtained by molecular dynamics (MD). The growth kinetics studied by the MD method show close to the linear growth velocity dependence in the range of undercooling ∆T 500 K. The discussion on the non-linear behavior of the dynamic diffuse interface of BaS crystal faces width is given upon predictions by MD and KPF methods.
Rozas et al. (Fri,) studied this question.