Orbital tomography of hybridized and dispersing molecular overlayers

Abstract

With angle resolved photoemission experiments and \emph{ab-initio} electronic structure calculations, the pentacene monolayers on Ag(110) and Cu(110) are compared and contrasted allowing the molecular orientation 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.

References in corpus (5)

• Direct Experimental Evidence for the Hybridization of Organic Molecular Orbitals with Substrate States at Interfaces: PTCDA on Silver
• Experimental and theoretical electronic structure of quinacridone
• Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory
• Adsorption geometry and electronic structure of iron phthalocyanine on Ag surfaces: A LEED and photoelectron momentum mapping study
• Measurement of electron wave functions and confining potentials via photoemission

Cited by in corpus (6)

• Energy Level Alignment at Molecule-Metal Interfaces from an Optimally-Tuned Range-Separated Hybrid Functional
• Accelerating $GW$-Based Energy Level Alignment Calculations for Molecule-Metal Interfaces Using a Substrate Screening Approach
• Binding and Electronic Level Alignment of $\mathbf{\pi }$-Conjugated Systems on Metals
• Application of iterative phase-retrieval algorithms to ARPES orbital tomography
• Photoemission orbital tomography based on tight-binding approach: method and application to $\pi$-conjugated molecules
• Circular dichroism in the photoelectron angular distribution of achiral molecules