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Rotation of a Single Acetylene Molecule on Cu(001) by Tunneling Electrons in STM
Russian Acad Sci, AM Prokhorov Gen Phys Inst, Moscow 119991, Russia.
Russian Acad Sci, AM Prokhorov Gen Phys Inst, Moscow 119991, Russia.
Linnaeus University, Faculty of Technology, Department of Physics and Electrical Engineering. Toyama Univ, Grad Sch Sci & Engn, Div Nanotechnol & New Funct Mat Sci, Toyama 9308555, Japan.
Toyama Univ, Grad Sch Sci & Engn, Div Nanotechnol & New Funct Mat Sci, Toyama 9308555, Japan.
2013 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 111, no 18, p. Article ID:186102-Article in journal (Refereed) Published
Abstract [en]

We study the elementary processes behind one of the pioneering works on scanning tunneling microscope controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation rate in combination with density functional theory calculations to obtain realistic parameters we reproduce the experimental rotation rate of an acetylene molecule on a Cu(100) surface as a function of bias voltage and tunneling current. This combined approach allows us to identify the reaction coordinate mode of the acetylene rotation and its anharmonic coupling with the C-H stretch mode. We show that three different elementary processes, the excitation of C-H stretch, the overtone ladder climbing of the hindered rotational mode, and the combination band excitation together explain the rotation of the acetylene molecule on Cu(100).

Place, publisher, year, edition, pages
2013. Vol. 111, no 18, p. Article ID:186102-
National Category
Physical Sciences
Research subject
Natural Science, Physics
Identifiers
URN: urn:nbn:se:lnu:diva-30998DOI: 10.1103/PhysRevLett.111.186102ISI: 000326279100013Scopus ID: 2-s2.0-84887112069OAI: oai:DiVA.org:lnu-30998DiVA, id: diva2:676783
Available from: 2013-12-06 Created: 2013-12-06 Last updated: 2017-12-06Bibliographically approved

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Paulsson, Magnus

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