The nature of the observed free-electron-like state in a PTCDA monolayer on Ag(111)

Abstract

A free-electron like band has recently been observed in a monolayer of PTCDA (3,4,9,10-perylene tetracarboxylic dianhydride) molecules on Ag(111) by two-photon photoemission [Schwalb et al., Phys. Rev. Lett. 101, 146801 (2008)] and scanning tunneling spectroscopy [Temirov et al., Nature 444, 350 (2006)]. Using density functional theory calculations, we find that the observed free-electron like band originates from the Shockley surface state band being dramatically shifted up in energy by the interaction with the adsorbed molecules while it acquires also a substantial admixture with a molecular band.

References in corpus (3)

• Van der Waals Density Functional for General Geometries
• Formation of dispersive hybrid bands at an organic-metal interface
• The nature of highly anisotropic free-electron-like states in a glycinate monolayer on Cu(100)

Cited by in corpus (7)

• Energy Shift and Wavefunction Overlap of Metal-Organic Interface-States
• Model potential for the description of metal/organic interface states
• Inelastic Decay of Electrons in the Shockley-type Metal-Organic Interface States
• Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)
• Adsorption geometry and the interface states: The relaxed and compressed phases of NTCDA/Ag(111)
• Adsorption geometry and electronic properties of flat-lying monolayers of tetracene on the Ag(111) surface
• Molecular ordering of glycine on Cu(100): the p($2\times 4$) superstructure