Strained graphene: tight-binding and density functional calculations

• Type: Article in International Scientific Journal
• Date: 2009

Authors

Ribeiro, RM (Author) Other; Pereira, VM (Author) Other; Peres, NMR (Author) Other; Briddon, PR (Author) Other; Castro Neto, AH (Author) Other

Journal

Title: New Journal of Physics

Vol. 11

ISSN: 1367-2630

Publisher: Institute of Physics Publishing

Indexing

ISI Web of Knowledge - 87 Citations

Scopus - 204 Citations

Other information

Authenticus ID: P-003-EE2

DOI: 10.1088/1367-2630/11/11/115002

Abstract (EN): We determine the band structure of graphene under strain using density functional calculations. The ab initio band structure is then used to extract the best fit to the tight-binding hopping parameters used in a recent microscopic model of strained graphene. It is found that the hopping parameters may increase or decrease upon increasing strain, depending on the orientation of the applied stress. The fitted values are compared with an available parameterization for the dependence of the orbital overlap on the distance separating the two carbon atoms. It is also found that strain does not induce a gap in graphene, at least for deformations up to 10%.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 11