Orbital tomography of hybridized and dispersing molecular overlayers

With angle-resolved photoemission experiments and ab initio electronic structure calculations, the pentacene monolayers on Ag(110) and Cu(110) are compared and contrasted, allowing the molecular orientation to be determined and an unambiguous assignment of emissions to specific orbitals to be made....

Full description

Saved in:
Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2014-10, Vol.90 (15), Article 155430
Main Authors: Ules, Thomas, Lüftner, Daniel, Reinisch, Eva Maria, Koller, Georg, Puschnig, Peter, Ramsey, Michael G.
Format: Article
Language:English
Subjects:
Condensed matter
Dispersions
Electronic structure
Mathematical analysis
Orbitals
Orientation
Photoemission
Simulation
Tomography
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:With angle-resolved photoemission experiments and ab initio electronic structure calculations, the pentacene monolayers on Ag(110) and Cu(110) are compared and contrasted, allowing the molecular orientation to be determined and an unambiguous assignment of emissions to specific orbitals to be made. On Ag(110), the orbitals remain essentially isolated-molecule-like, while strong substrate-enhanced dispersion and orbital modification are observed upon adsorption on Cu(110). We show how the photoemission intensity of extended systems can be simulated and that it behaves essentially like that of the isolated molecule modulated by the band dispersion due to intermolecular interactions.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.90.155430