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First Principle DFT Study of Electric Field Effects on the Characteristics of Bilayer Graphene.

First principle density functional theory methods, local density and Perdew-Burke-Ernzerhof generalized gradient approximations with Goedecker pseudopotential (LDA-G & PBE-G), are used to study the electric field effects on the binding energy and atomic charges of bilayer graphene (BLG) at the Γ poi...

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Publicado en:Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 72; no. 1; pp. 1 - 8
Autores principales: Sabzyan, Hassan, Sadeghpour, Narges
Formato: Artículo
Publicado: De Gruyter Jan2017
Materias:
Graphene
Electric field effects
Density functional theory
Pseudopotential method
Binding energy
Brillouin zones
Charge transfer
Charge density waves
Acceso en línea:Ver este registro en EBSCOhost