Figure 7
From: Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems
Effect of strain on the formation energy of SW.
(a) The dependence of the SW defect formation energy on various types of strain. Filled and open symbols denote CFF and DFT calculations, respectively. (b) Two Haeckelite structures produced from crystalline HBS (leftmost panels) by single SW transformations in an orthorhombic cell (upper panels, orange) and an initially hexagonal cell (lower panels, blue), four times larger than the primitive cell. Rightmost panels depict the crystalline structure subjected to a strain similar to that resulting from the Haeckelite transformation. (c) Diagram showing the energy differences for the structures in panel b, illustrating the energy gain in formation of the Haeckelite structure at large strains.
