Journal Article

PreJuSER-10759

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Electronic Mapping of Molecular Orbitals at the Molecule-Metal Interface

Lennartz, M. C.FZJ* ; Caciuc, V.FZJ* ; Atodiresei, N.FZJ* ; Karthäuser, S.FZJ* ; Blügel, S.FZJ*

2010
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/7246  doi:10.1103/PhysRevLett.105.066801

Abstract: The molecule-metal interface formed by pyridine-2,5-dicarboxylic acid chemically bonded to the Cu (110) surface is investigated by scanning tunneling microscopy and first-principles calculations. Our current-voltage spectroscopy studies reveal an electronic mapping of molecular orbitals as a function of tip position. By combining experimental and theoretical investigations, individual molecular orbitals are characterized by their energy and spatial distribution. The importance of adsorption geometries and conformational changes on the electron transport properties is highlighted.

Keyword(s): J

Note: This work was supported by the DFG Priority Program SPP1243. The theoretical calculations have been performed at the Julich Supercomputing Centre. The authors thank P. Lazic for discussions.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IFF-1)
2. Quanten-Theorie der Materialien (IAS-1)
3. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
4. Jülich Aachen Research Alliance - High-Performance Computing (JARA-HPC)
5. Elektronische Materialien (IFF-6)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2010

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