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  Seeing molecular orbitals

Pascual, J. I., Gómez-Herrero, J., Rogero, C., Baró, A., Sánchez-Portal, D., Artacho, E., et al. (2000). Seeing molecular orbitals. Chemical Physics Letters, 321(1-2), 78-82. doi:10.1016/S0009-2614(00)00337-7.

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 Creators:
Pascual, José Ignacio1, 2, Author           
Gómez-Herrero, J.1, Author
Rogero, C.1, Author
Baró, A.1, Author
Sánchez-Portal, D.1, 3, Author
Artacho, E.1, Author
Ordejón, P.4, Author
Soler, J. M.1, 5, Author
Affiliations:
1Departamento de Fı́sica de la Materia Condensada, C-III, and Instituto Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain, ou_persistent22              
2Fritz Haber Institute, Max Planck Society, ou_24021              
3Department of Physics and Materials Research Laboratory, University of Illinois, Urbana, IL-61801, USA, ou_persistent22              
4Institut de Ciencia de Materials de Barcelona -CSIC, Bellaterra, E-08193 Barcelona, Spain, ou_persistent22              
5Department of Physiscs, Lyman laboratory, Harvard University, Cambridge, MA 02138, USA, ou_persistent22              

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 Abstract: We present results on a well known system, C60 on Si(111)(7×7), which show that the scanning tunneling microscope (STM) is probing a single molecular orbital (MO). This MO, after comparison of experimental intramolecular structure with ab initio calculations, arises from the highest occupied MO (HOMO). The adsorbed molecules keep their relevant electronic identity but suffer a decrease in their icosahedral symmetry. The nature of the chemical bonding is proposed as being responsible for selecting one single MO in the imaging mechanisms. Our results represent an example of a strongly interacting system that can be interpreted with a great level of detail, overcoming substrate complexities.

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Language(s): eng - English
 Dates: 1999-12-171999-09-162000-04-21
 Publication Status: Issued
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/S0009-2614(00)00337-7
 Degree: -

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Title: Chemical Physics Letters
  Other : Chem. Phys. Lett.
Source Genre: Journal
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Publ. Info: Amsterdam : North-Holland
Pages: 5 Volume / Issue: 321 (1-2) Sequence Number: - Start / End Page: 78 - 82 Identifier: ISSN: 0009-2614
CoNE: https://pure.mpg.de/cone/journals/resource/954925389241