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The Energetics Associated with the Formation of Interfaces, Multilayers and Adlayers

Published online by Cambridge University Press:  28 February 2011

R. E. Watson ,
M. Weinert ,
G. W. Fernando  and
J. W. Davenport
R. E. Watson
Affiliation:
Brookhaven National Laboratory, Department of Physics, Bldg. 510A, Upton, NY 11973
M. Weinert
Affiliation:
Brookhaven National Laboratory, Department of Physics, Bldg. 510A, Upton, NY 11973
G. W. Fernando
Affiliation:
Brookhaven National Laboratory, Department of Physics, Bldg. 510A, Upton, NY 11973
J. W. Davenport
Affiliation:
Brookhaven National Laboratory, Department of Physics, Bldg. 510A, Upton, NY 11973
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Abstract

A combination of bulk and slab total energy calculations have been done to disentangle the energetics of metal adlayer and multilayer formation. Results have been obtained for Pd/Nb(110), Pd/Nb(001), Ag/Nb(ll0), Ag/Nb(001) and Nb/Pd(111) which provide a picture consistent with what is known experimentally for these systems.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 405
Copyright
Copyright © Materials Research Society 1989

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References

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