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On the pair-potential modelling of alloy surfaces

R. Drautz, M. Fähnle

Surface Science , 585, 108-112, (2005)

DOI: 10.1016/j.susc.2005.04.016

Download: BibTEX

The tendency of a minority atom to segregate to the surface of a diluted binary alloy is discussed by use of pair potentials and in combination with the cluster expansion method. By considering the system Ni90Al10(1 10) it is shown that modelling of alloy surfaces by perfectly transferable and hence environment independent pair potentials in general is not adequate.

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{"type":"article", "name":"r.drautz20051", "author":"R. Drautz and M. Fähnle", "title":"On the pairpotential modelling of alloy surfaces", "journal":"Surface Science ", "volume":"585", "OPTnumber":"1-2", "OPTmonth":"1", "year":"2005", "OPTpages":"108-112", "OPTnote":"", "OPTkey":"construction and use of effective interatomic interactions; density functional calculations; surface segregation; alloys ", "DOI":"10.1016/j.susc.2005.04.016"}
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