2008
DOI: 10.1103/physrevb.78.085406
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Periodized discrete elasticity models for defects in graphene

Abstract: The cores of edge dislocations, edge dislocation dipoles and edge dislocation loops in planar graphene have been studied by means of periodized discrete elasticity models. To build these models, we have found a way to discretize linear elasticity on a planar hexagonal lattice using combinations of difference operators that do not involve symmetrically all the neighbors of an atom. At zero temperature, dynamically stable cores of edge dislocations may be heptagon-pentagon pairs (glide dislocations) or octagons … Show more

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Cited by 49 publications
(65 citation statements)
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“…Understanding how defects deform graphene helps build an accurate description M A N U S C R I P T A C C E P T E D ACCEPTED MANUSCRIPT of both elasticity and plasticity in graphene [24][25][26]. While many theoretical and experimental studies have been devoted to elucidating the Stone−Wales (SW) defect structures and their electronic properties, much less studies have provided systematic evidence to connect other vacancy and embedded-atom defect structures with their lattice distortion and local electronic properties.…”
Section: Introductionmentioning
confidence: 99%
“…Understanding how defects deform graphene helps build an accurate description M A N U S C R I P T A C C E P T E D ACCEPTED MANUSCRIPT of both elasticity and plasticity in graphene [24][25][26]. While many theoretical and experimental studies have been devoted to elucidating the Stone−Wales (SW) defect structures and their electronic properties, much less studies have provided systematic evidence to connect other vacancy and embedded-atom defect structures with their lattice distortion and local electronic properties.…”
Section: Introductionmentioning
confidence: 99%
“…The importance of three-dimensional (3D) buckling in strained 2D materials has been pointed out earlier [10][11][12][13][14][15][16] . However, as accounting for 3D out-of-plane deformations significantly complicates calculations 12 , such deformations have either been omitted in theoretical studies, or the studied systems have been too small to describe the long-range corrugations 9,[17][18][19][20][21][22][23] .…”
mentioning
confidence: 99%
“…The total elastic energy density associated with the strain for a two-dimensional graphene sheet can be written as [25,26] 2U s = C iklm ε ik ε lm . Here C iklm is a tensor of rank 4 (the elastic modulus tensor) and ε ik (or ε lm ) is the strain tensor.…”
Section: Theoretical Modelmentioning
confidence: 99%