title: Strongly reshaped organic-metal interfaces: tetracyanoethylene on Cu(100).
abstract: The interaction of the strong electron-acceptor tetracyanoethylene with the Cu(100) surface is studied with scanning tunneling microscopy experiments and first-principles density functional theory calculations. We compare two different adsorption models with the experimental results and show that the molecular self-assembly is caused by a strong structural modification of the Cu(100) surface rather than the formation of a coordination network by diffusing Cu adatoms. Surface atoms become highly buckled, and the chemisorption of tetracyanoethylene is accompanied by a partial charge transfer.
authors.affiliation: Département de génie physique and Regroupement québécois sur les matériaux de pointe, Ecole Polytechnique de Montréal, Montréal, Québec H3C 3A7, Canada. stephane.bedwani@polymtl.ca
authors.forename: Stéphane
authors.initials: S
authors.lastname: Bedwani
authors.forename: Daniel
authors.initials: D
authors.lastname: Wegner
authors.forename: Michael F
authors.initials: MF
authors.lastname: Crommie
authors.forename: Alain
authors.initials: A
authors.lastname: Rochefort