Strained graphene: tight-binding and density functional calculations

• Tipo: Artigo em Revista Científica Internacional
• Data: 2009

Autores

Ribeiro, RM (Autor) Outra; Pereira, VM (Autor) Outra; Peres, NMR (Autor) Outra; Briddon, PR (Autor) Outra; Castro Neto, AH (Autor) Outra

Revista

Título: New Journal of Physics

Vol. 11

ISSN: 1367-2630

Editora: Institute of Physics Publishing

Indexação

ISI Web of Knowledge - 87 Citações

Scopus - 204 Citações

Outras Informações

ID Authenticus: 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%.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 11