Quantifying the Stacking Registry Matching in Layered Materials

Details Quantifying the Stacking Registry Matching in Layered Materials Quantifying the Stacking Registry Matching in Layered Materials

2010-09-28

arxiv.org/abs/1009.5639v1

Israel Journal of Chemistry 50, 506-514 (2010)

Physics

Condensed Matter

Materials Science

8 pages, 8 figures. To be published in a special issue of the Israel Journal of Chemistry regarding "Inorganic Nanotubes and N

Scientific paper

10.1002/ijch.201000052

A detailed account of a recently developed method [Marom et al., Phys. Rev. Lett. 105, 046801 (2010)] 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.

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