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Wulff shape emergence in graphene

Academic Article
Publication Date:
2016
abstract:
Graphene samples are identified as minimizers of configurational energies featuring both two- and three-body atomic-interaction terms. This variational viewpoint allows for a detailed description of ground-state geometries as connected subsets of a regular hexagonal lattice. We investigate here how these geometries evolve as the number n n of carbon atoms in the graphene sample increases. By means of an equivalent characterization of minimality via a discrete isoperimetric inequality, we prove that ground states converge to the ideal hexagonal Wulff shape as n->?. Precisely, ground states deviate from such hexagonal Wulff shape by at most Kn^3/4 + o(n^3/4) atoms, where both the constant K and the rate n^3/4 are sharp.
Iris type:
01.01 Articolo in rivista
Keywords:
Graphene; Ground state; hexagonal lattice; isoperimetric inequality; Wulff shape
List of contributors:
Stefanelli, ULISSE MARIA
Authors of the University:
STEFANELLI ULISSE MARIA
Handle:
https://iris.cnr.it/handle/20.500.14243/328504
Published in:
MATHEMATICAL MODELS & METHODS IN APPLIED SCIENCES
Journal
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URL

http://www.worldscientific.com/doi/abs/10.1142/S0218202516500536
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