Atom-by-Atom and Concerted Hopping of Adatom Pairs on an Open Metal Surface

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Description

Atom-by-atom and concerted hopping of ad-dimers on the open (100) surface of fcc metals are studied by means of density-functional calculations. The adatom interaction is relatively short-ranged, and beyond next-nearest neighbors ad-dimers are effectively dissociated. Diffusion takes place by a simple shearing process, favored because it maximizes adatom coordination at the transition state This holds for Al, Au, and Rh, and is likely a general result because geometrical arguments dominate over details of the electronic structure.

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4 p.

Creation Information

Bogicevic, A.; Ovesson, S.; Lundqvist, B.I. & Jennison, D.R. August 25, 1999.

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This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. More information about this article can be viewed below.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA (United States)
    Place of Publication: Albuquerque, New Mexico

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Atom-by-atom and concerted hopping of ad-dimers on the open (100) surface of fcc metals are studied by means of density-functional calculations. The adatom interaction is relatively short-ranged, and beyond next-nearest neighbors ad-dimers are effectively dissociated. Diffusion takes place by a simple shearing process, favored because it maximizes adatom coordination at the transition state This holds for Al, Au, and Rh, and is likely a general result because geometrical arguments dominate over details of the electronic structure.

Physical Description

4 p.

Notes

OSTI as DE00010352

Medium: P; Size: 4 pages

Source

  • Journal Name: Physical Review Letters; Other Information: Submitted to Physical Review Letters

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  • Report No.: SAND99-2194J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 10352
  • Archival Resource Key: ark:/67531/metadc618969

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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Creation Date

  • August 25, 1999

Added to The UNT Digital Library

  • June 16, 2015, 7:43 a.m.

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  • April 10, 2017, 7:48 p.m.

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Bogicevic, A.; Ovesson, S.; Lundqvist, B.I. & Jennison, D.R. Atom-by-Atom and Concerted Hopping of Adatom Pairs on an Open Metal Surface, article, August 25, 1999; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc618969/: accessed December 17, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.