  Plasma-surface interactions during AlN thin film sputter deposition could be
studied by means of reactive molecular dynamics (RMD) methods. This requires an
interaction potential that describes all species as well as wall interactions
(e.g., particle emission, damage formation) appropriately. However, previous
works focused on the establishment of AlN bulk potentials. Although for the
third-generation charge-optimized many-body (COMB3) potential at least a single
reference surface was taken into account, surface interactions are subject to
limited reliability only. The demand for a revised COMB3 AlN potential is met
in two steps: First, the Ziegler-Biersack-Littmark potential is tapered and the
variable charge model QTE$^+$ is implemented to account for high-energy
collisions and distant charge transport, respectively. Second, the underlying
parameterization is reworked by applying a self-adaptive evolution strategy
implemented in the GARFfield software. Four wurtzite, three zinc blende and
three rock salt surfaces are considered. An example study on the ion
bombardment induced particle emission and point defect formation reveals that
the revised COMB3 AlN potential is appropriate for the accurate investigation
of plasma-surface interactions by means of RMD simulations.
