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

Abstract

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.

Authors:
; ; ;
Publication Date:
Research Org.:
Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
10352
Report Number(s):
SAND99-2194J
TRN: AH200125%%324
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Other Information: Submitted to Physical Review Letters; PBD: 25 Aug 1999
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DIMERS; DIFFUSION; ELECTRONIC STRUCTURE; FCC LATTICES; ATOMS; ALUMINIUM; GOLD; RHODIUM

Citation Formats

Bogicevic, A., Ovesson, S., Lundqvist, B.I., and Jennison, D.R. Atom-by-Atom and Concerted Hopping of Adatom Pairs on an Open Metal Surface. United States: N. p., 1999. Web.
Bogicevic, A., Ovesson, S., Lundqvist, B.I., & Jennison, D.R. Atom-by-Atom and Concerted Hopping of Adatom Pairs on an Open Metal Surface. United States.
Bogicevic, A., Ovesson, S., Lundqvist, B.I., and Jennison, D.R. Wed . "Atom-by-Atom and Concerted Hopping of Adatom Pairs on an Open Metal Surface". United States. https://www.osti.gov/servlets/purl/10352.
@article{osti_10352,
title = {Atom-by-Atom and Concerted Hopping of Adatom Pairs on an Open Metal Surface},
author = {Bogicevic, A. and Ovesson, S. and Lundqvist, B.I. and Jennison, D.R.},
abstractNote = {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.},
doi = {},
journal = {Physical Review Letters},
number = ,
volume = ,
place = {United States},
year = {1999},
month = {8}
}