  CdTe has been a special semiconductor for constructing the lowest-cost solar
cells and the CdTe-based Cd1-xZnxTe alloy has been the leading semiconductor
for radiation detection applications. The performance currently achieved for
the materials, however, is still far below the theoretical expectations. This
is because the property-limiting nanoscale defects that are easily formed
during the growth of CdTe crystals are difficult to explore in experiments.
Here we demonstrate the capability of a bond order potential-based molecular
dynamics method for predicting the crystalline growth of CdTe films during
vapor deposition simulations. Such a method may begin to enable defects
generated during vapor deposition of CdTe crystals to be accurately explored.
