Structures and energetics of Pt, Pd, and Ni adatom clusters on the Pt(001) surface: Embedded-atom-method calculations

Journal Article · Thu Nov 15 04:00:00 EST 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.42.9409· OSTI ID:6003540

Wright, A F ^[1]; Daw, M S ^[2]; Fong, C Y ^[1]

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1. University of California, Davis, CA (USA)
2. Sandia National Laboratories, Livermore, CA (USA)

The structures and energetics of Pt, Pd, and Ni adatom clusters on the Pt(001) surface have been investigated using the embedded-atom method (EAM). The stable configurations of Pt clusters are predicted to be linear chains oriented along the {l angle}110{r angle} directions for three and five adatoms and close-packed islands for four and six or more adatoms. These results are in agreement with a recent field-ion-microscopy (FIM) study and with previous EAM calculations (Schwoebel {ital et} {ital al}., Phys. Rev. B 40, 10 639 (1989)). For Pd, the stable configurations are predicted to be close-packed islands except for three adatoms, for which a linear chain is the predicted stable configuration. Preliminary FIM observations, with Pd clusters containing up to six adatoms, agree with these predictions for four, five, and six adatoms, but are not conclusive concerning the stable configuration for three adatoms (G. L. Kellogg (private communication)). For Ni, the stable configurations are predicted to be linear chains for all numbers of adatoms, and at this time no experimental observations have been reported. The similarities and differences in the results for Pt, Pd, and Ni adatoms are discussed, as well as the importance of substrate relaxations.

• OSTI ID: 6003540
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 42:15; ISSN 0163-1829; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102 -- Metals & Alloys-- Structure & Phase Studies
360104* -- Metals & Alloys-- Physical Properties
ADSORPTION
CRYSTAL STRUCTURE
ELEMENTS
ION MICROSCOPY
METALS
MICROSCOPY
MICROSTRUCTURE
NICKEL
PALLADIUM
PLATINUM
PLATINUM METALS
SOLID CLUSTERS
SORPTION
SURFACES
TRANSITION ELEMENTS