Quantifying the stacking registry matching in layered materials

A detailed account of a recently developed method [Marom etal., Phys. Rev. Lett. 2010, 105, 046801] to quantify the registry mismatch in layered materials is presented. The registry index, which was originally defined for planar hexagonal boron-nitride, is extended to treat graphitic systems and generalized to describe multi-layered nanotubes. It is shown that, using simple geometric considerations, it is possible to capture the complex physical features of interlayer sliding in layered materials. The intuitive nature of the presented model and the efficiency of the related computations suggest that the method can be used as a powerful characterization tool for interlayer interactions in complex layered systems.