Bulk ordering and surface segregation in Ni50Pt50
2001 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 6403, no 3Article in journal (Refereed) Published
Interatomic interactions obtained from the effective screened generalized-perturbation method have been applied in Monte Carlo simulations to derive the bulk and surface-alloy configurations for Ni50Pt50 The calculated order-disorder transition temperature and short-range order parameters in the bulk compare well with experimental data. The surface-alloy compositions for the (111) and (110) facets above the ordering transition temperature are also found to be in a good agreement with experiments. It is demonstrated that the segregation profile at the (110) surface of NiPt is mainly caused by the unusually strong segregation of Pt into the second layer and the interlayer ordering due to large chemical nearest-neighbor interactions.
Place, publisher, year, edition, pages
2001. Vol. 6403, no 3
energy electron-diffraction, embedded-atom method, ni-pt alloys, face-related segregation, generalized perturbation method, green-function technique, transition-metal alloys, short-range order, cu-ni, monte-carlo
IdentifiersURN: urn:nbn:se:kth:diva-20815ISI: 000169989800098OAI: oai:DiVA.org:kth-20815DiVA: diva2:339512
QC 201005252010-08-102010-08-10Bibliographically approved