title: Role of dispersion forces in the structure of graphene monolayers on Ru surfaces.
abstract: Elaborate density functional theory (DFT) calculations that include the effect of van der Waals (vdW) interactions have been carried out for graphene epitaxially grown on Ru(0001). The calculations predict a reduction of structural corrugation in the observed moiré pattern of about 25% (∼0.4 Å) with respect to DFT calculations without vdW corrections. The simulated STM topographies are close to the experimental ones in a wide range of bias voltage around the Fermi level.
authors.affiliation: Departamento de Química, Universidad Autónoma de Madrid, Spain.
authors.forename: D
authors.initials: D
authors.lastname: Stradi
authors.forename: S
authors.initials: S
authors.lastname: Barja
authors.forename: C
authors.initials: C
authors.lastname: Díaz
authors.forename: M
authors.initials: M
authors.lastname: Garnica
authors.forename: B
authors.initials: B
authors.lastname: Borca
authors.forename: J J
authors.initials: JJ
authors.lastname: Hinarejos
authors.forename: D
authors.initials: D
authors.lastname: Sánchez-Portal
authors.forename: M
authors.initials: M
authors.lastname: Alcamí
authors.forename: A
authors.initials: A
authors.lastname: Arnau
authors.forename: A L
authors.initials: AL
authors.lastname: Vázquez de Parga
authors.forename: R
authors.initials: R
authors.lastname: Miranda
authors.forename: F
authors.initials: F
authors.lastname: Martín