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Isotope effect in acetylene C2H2 and C2D2 rotations on Cu(001)
Russian Acad Sci.
Russian Acad Sci / Toyama Univ.
Linnaeus University, Faculty of Technology, Department of Physics and Electrical Engineering. Toyama Univ.
Toyama Univ.
2014 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 89, no 16, Article ID: 165418- p.Article in journal (Refereed) Published
Abstract [en]

A comprehensive analysis of the elementary processes behind the scanning tunneling microscope controlled rotation of C2H2 and C2D2, isotopologues of a single acetylene molecule adsorbed on the Cu(001) surface, is given, with a focus on the isotope effects. With the help of density-functional theory we calculate the vibrational modes of C2H2 and C2D2 on Cu(001) and estimate the anharmonic couplings between them, using a simple strings-on-rods model. The probability of the elementary processes, nonlinear and combination band, is estimated using the Keldysh diagram technique. This allows us to clarify the main peculiarities and the isotope effects of the C2H2 and C2D2 on Cu(001) rotation, discovered in the pioneering work [B. C. Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)], which have not been previously understood.

Place, publisher, year, edition, pages
2014. Vol. 89, no 16, Article ID: 165418- p.
National Category
Physical Sciences
Research subject
Natural Science, Physics
Identifiers
URN: urn:nbn:se:lnu:diva-34643DOI: 10.1103/PhysRevB.89.165418ISI: 000335233000015OAI: oai:DiVA.org:lnu-34643DiVA: diva2:721579
Available from: 2014-06-04 Created: 2014-06-04 Last updated: 2014-06-04Bibliographically approved

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