Journal
PHYSICS LETTERS A
Volume 481, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.physleta.2023.129010
Keywords
Edge effects; Graphene; Anharmonicity; Edge energy; Lattice relaxation
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This paper calculates the lattice relaxation, change of atomic vibrations, and excess energy near the armchair and zigzag edges of a flat graphene monolayer using the unsymmetrized self-consistent field theory of strongly anharmonic solids in the lowest order of anharmonicity. A comparison is made between these properties in each type of edge.
The lattice relaxation and the change of atomic vibrations, as well as the excess energy near both the armchair and zigzag edges of a flat graphene monolayer are calculated using the unsymmetrized self-consistent field theory of strongly anharmonic solids in the lowest order of anharmonicity. A comparison is given of these properties in each of the two types of edge.& COPY; 2023 Elsevier B.V. All rights reserved.
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