| Veröffentlichte Version Download ( PDF | 424kB) |
Elastic properties of graphene flakes: Boundary effects and lattice vibrations
Bera, S., Arnold, A., Evers, Ferdinand
, Narayanan, R. und Wölfle, P.
(2010)
Elastic properties of graphene flakes: Boundary effects and lattice vibrations.
Physical Review B 82 (19).
Veröffentlichungsdatum dieses Volltextes: 02 Jul 2021 11:06
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.46199
Zusammenfassung
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.
Alternative Links zum Volltext
Beteiligte Einrichtungen
Details
| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Physical Review B | ||||
| Verlag: | American Physical Society (APS) | ||||
|---|---|---|---|---|---|
| Band: | 82 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 19 | ||||
| Datum | 30 November 2010 | ||||
| Institutionen | Physik > Institut für Theoretische Physik > Lehrstuhl Ferdinand Evers | ||||
| Identifikationsnummer |
| ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Nein | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-461992 | ||||
| Dokumenten-ID | 46199 |
Downloadstatistik
Downloadstatistik