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  Helium atom scattering experiments and molecular dynamics simulations of the structure and lattice dynamics of 15-layer acetylene films on KCl(001)

Toennies, J. P., Träger, F., Weiss, H., Picaud, S., & Hoang, P. N. M. (2002). Helium atom scattering experiments and molecular dynamics simulations of the structure and lattice dynamics of 15-layer acetylene films on KCl(001). Physical Review B, 65(16): 165427, pp. 165427-1-165427-12.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-1795-9 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-1796-7
Genre: Journal Article

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 Creators:
Toennies, J. P.1, Author              
Träger, F.1, Author              
Weiss, H., Author
Picaud, S., Author
Hoang, P. N. M., Author
Affiliations:
1Emeritus Group Molecular Interactions, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society, ou_2063297              

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 Abstract: The surface structure and lattice dynamics of thick films of 15 to 40 layers of acetylene adsorbed on a KCl(001) single crystal surface have been investigated at about 40 K by combining helium atom scattering (HAS) experiments with classical molecular dynamics simulations. As rarely occurs for physisorbates on ionic crystals layer-by-layer growth is observed by HAS up to at least 15 layers producing films with a (√2 x √2)R45⁰ geometry. The simulations confirm the stability and structure of these layers up to about 100 K. The time-of-flight spectra reveal along the [110] direction at least four phonon modes, which are assigned by simulations based on the calculated power spectra of the velocity and angular autocorrelation functions.

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Language(s): eng - English
 Dates: 2002-04-15
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: eDoc: 13453
ISI: 000175325000130
 Degree: -

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Title: Physical Review B
  Alternative Title : Phys. Rev. B
Source Genre: Journal
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Pages: - Volume / Issue: 65 (16) Sequence Number: 165427 Start / End Page: 165427-1 - 165427-12 Identifier: ISSN: 0163-1829