Atom-by-atom and concerted hopping of adatom pairs on an open metal surface

Journal Article · Fri Jan 14 23:00:00 EST 2000 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.61.R2456· OSTI ID:20215329

Bogicevic, A ^[1]; Ovesson, S ^[2]; Lundqvist, B I ^[2]; Jennison, D R ^[1]

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1. Surface and Interface Sciences Department, Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States)
2. Department of Applied Physics, Chalmers University of Technology and Goeteborg University, S-412 96 Goeteborg, (Sweden)

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. (c) 2000 The American Physical Society.

• OSTI ID: 20215329
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 4 Vol. 61; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADSORBENTS
ALUMINIUM
DIFFUSION
DIMERS
FCC LATTICES
GOLD
METALS
RHODIUM
SURFACES
THEORETICAL DATA