Electronic structure and mechanical properties of graphitic triclinic and honeycomb lattices

Abstract

A new family of carbon crystals in which graphitic strips are interconnected to form tetrahedral bonds are proposed. Four zigzag-edged strips can be connected at a junction with a bonding configuration similar to that of cubic diamond. On the other hand, three armchair-edged graphitic strips can be connected at a junction with a bonding configuration similar to that of hexagonal diamond. The electronic structures and the mechanical stabilities of these structures are investigated using the ab initio pseudopotential method with the plane-wave basis set.