Stability of dislocation defect with two pentagon-heptagon pairs in graphene
- 3 October 2008
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 78 (16), 165403
- https://doi.org/10.1103/physrevb.78.165403
Abstract
The stability of a dislocation defect with two pentagon-heptagon (5-7) pairs in a graphene layer is investigated within first-principles density-functional theory scheme. It is found that the structure of the dislocation defect with two 5-7 pairs becomes more stable than a local haeckelite structure which is composed of defect units of three pentagons and three heptagons (555-777 defect) when the number of vacancy units is ten and over. The simulation study of scanning tunneling microscopy reveals that the 5-7 pair defects perturb the wave functions of electrons near Fermi level to produce the : a superlattice pattern.
Keywords
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