Abstract
In the framework of the Hartman-Perdok PBC theory it is possible for a crystal face (hkl) to grow flat if the crystal structure contains intersecting and compatible periodic bond chains (PBCs) in at least two directions [uvw]′ and [uvw]″ on (hkl). Due to the inherent periodicity of the structure the content of these two PBCs determines the composition of a growth layer ∥ (hkl), that is an F slice.
To arrive at PBCs one must first determine all paths or direct chains in the structure; and to arrive at F slices one must combine often large numbers of PBCs. It is conceptually simpler and computationally more straightforward to view an F slice as an infinite two-dimensional connected network ∥ (hkl). F slices can be generated from the direct chains of the structure, thus bypassing the necessity of constructing PBCs. The APL program F FACE determines F slices for ionic structures.
