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Elastic properties of graphene flakes: Boundary effects and lattice vibrations
Article
Bera, S., Arnold, A., Evers, Ferdinand
, Narayanan, R. and Wölfle, P.
(2010)
Elastic properties of graphene flakes: Boundary effects and lattice vibrations.
Physical Review B 82 (19).
DOI to cite this document: 10.5283/epub.46199
Abstract
We present a phenomenological theory together with explicit calculations of the electronic ground-state energy, the surface contribution, and the elastic constants (“Lamé parameters,” i.e., Poisson ratio, Young’s modulus) of graphene flakes on the level of the density-functional theory employing different standard functionals. We observe that the Lamé parameters in small flakes can differ from ...
We present a phenomenological theory together with explicit calculations of the electronic ground-state energy, the surface contribution, and the elastic constants (“Lamé parameters,” i.e., Poisson ratio, Young’s modulus) of graphene flakes on the level of the density-functional theory employing different standard functionals. We observe that the Lamé parameters in small flakes can differ from the bulk values by 30% for hydrogenated zigzag edges. The change results from the edge of the flake that compresses the interior. When including the vibrational zero-point motion, we detect a decrease in the bending rigidity, κ, by ∼26%. The vibrational frequencies flow with growing N due to the release of the edge-induced compression. We calculate the corresponding Grüneisen parameters and find good agreement with previous authors.
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| Item type | Article | ||||
| Journal or Publication Title | Physical Review B | ||||
| Publisher | American Physical Society (APS) | ||||
| Open Access Type | Due to SHERPA/RoMEO | ||||
| Volume | 82 | ||||
| Number of Issue or Book Chapter | 19 | ||||
| Date | 30 November 2010 | ||||
| Date of publication | 02 Jul 2021 11:06 | ||||
| Institutions | Physics > Institute of Theroretical Physics > Chair Ferdinand Evers | ||||
| Identification Number |
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| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | No | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-461992 | ||||
| Item ID | 46199 |
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