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Energy shift and wave function overlap of metal-organic interface states

AutorMarks, M.; Zaitsev, Nickolai L.; Nechaev, I. A.; Echenique, Pedro M. ; Chulkov, Eugene V.
Fecha de publicación2011
EditorAmerican Physical Society
CitaciónPhysical Review B 84(8): 081301(R) (2011)
ResumenThe properties of Shockley-type interface states between π-conjugated organic molecular layers and metal surfaces are investigated by time-resolved two-photon photoemission experiments and density functional theory. For perylene- and naphthalene-tetracarboxylic acid dianhydride (PTCDA and NTCDA) adsorbed on Ag(111), a common mechanism of formation of the interface state from the partly occupied surface state of the bare Ag(111) is revealed. The energy position is found to be strongly dependent on the distance of the molecular carbon rings from the metal and their surface density. Bending of the carboxyl groups enhances the molecular overlap of the interface state.
URIhttp://hdl.handle.net/10261/50603
DOI10.1103/PhysRevB.84.081301
Identificadoresdoi: 10.1103/PhysRevB.84.081301
issn: 1098-0121
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