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Electronic structure at the C60/metal interface: An angle-resolved photoemission and first-principles study


Tamai, A; Seitsonen, A P; Baumberger, F; Hengsberger, M; Shen, Z X; Greber, T; Osterwalder, J (2008). Electronic structure at the C60/metal interface: An angle-resolved photoemission and first-principles study. Physical Review B, 77(7):075134-8pp.

Abstract

High-resolution angle-resolved photoemission reveals a complex electronic structure at the interface between a highly ordered C60 monolayer and the Cu(111) surface. The Shockley-type surface state of the clean substrate is pushed to higher energies by the overlayer and strongly couples to intramolecular C60 phonons. A second interface state with a bandwidth spanning the entire HOMO-LUMO gap disperses with the periodicity of the C60 superstructure. Density functional theory calculations indicate that this state is due to strong hybridization of molecular orbitals and substrate electronic states at the C60/metal interface. This finding sheds light on the issue of self-doping in molecular layers on metal surfaces.

Abstract

High-resolution angle-resolved photoemission reveals a complex electronic structure at the interface between a highly ordered C60 monolayer and the Cu(111) surface. The Shockley-type surface state of the clean substrate is pushed to higher energies by the overlayer and strongly couples to intramolecular C60 phonons. A second interface state with a bandwidth spanning the entire HOMO-LUMO gap disperses with the periodicity of the C60 superstructure. Density functional theory calculations indicate that this state is due to strong hybridization of molecular orbitals and substrate electronic states at the C60/metal interface. This finding sheds light on the issue of self-doping in molecular layers on metal surfaces.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Physics Institute
Dewey Decimal Classification:530 Physics
Language:English
Date:2008
Deposited On:10 Feb 2009 13:49
Last Modified:18 Feb 2018 10:29
Publisher:American Physical Society
ISSN:1098-0121
OA Status:Green
Publisher DOI:https://doi.org/10.1103/PhysRevB.77.075134

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