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- W2913449655 abstract "In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger unit cells (supercells), positioning a single carbon atom in the hollow position between the monolayers and periodically replicating the supercell. By increasing the size of the unit cell and consequently, the periodicity of the inserted atoms, we are able to minimize the carbon-carbon interaction and therefore infer the changes in the electronic, vibrational and thermal behavior of the bilayer when the intercalated atoms do not interact with each other. The main result, concerning the electronic properties, is the appearance of a doubly degenerate at band at the Fermi level. These states are interpreted as coming from the periodic deformation of the bilayer due to the inserted atoms. It acts as a non-Abelian flux network creating zero energy at bands as predicted by San-Jose, Gonzalez and Guinea in 2012." @default.
- W2913449655 created "2019-02-21" @default.
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- W2913449655 date "2019-02-18" @default.
- W2913449655 modified "2023-09-27" @default.
- W2913449655 title "Evidence for flat zero-energy bands incarbon-intercalated bilayer graphene" @default.
- W2913449655 hasPublicationYear "2019" @default.
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