Energetics of small Pt clusters on Pt(111): Embedded-atom-method calculations and phenomenology

Journal Article · Wed Mar 15 04:00:00 EST 1995 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.51.7817· OSTI ID:6450551

Fallis, M C ^[1]; Daw, M S ^[2]; Fong, C Y ^[1]

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1. Department of Physics, University of California, Davis, California 95616 (United States)
2. Sandia National Laboratories, Livermore, California 94551 (United States)

We have employed the embedded-atom method (EAM) to predict the structures and energetics of clusters containing up to seven Pt atoms adsorbed on the Pt(111) surface. The calculated cluster binding energies depend primarily on the number of (nearest-neighbor) bonds between the adatoms. Clusters with the same number of adatoms divide, according to their binding energies, into subgroups (bond families) of clusters with a common number of bonds. The typical spread of binding energies in these bond families is less than 0.2 eV, while the separation between neighboring families corresponds to a mean bond strength of about 0.7 eV. Thus the most stable clusters assume geometries which maximize the number of bonds. In addition, we propose a scheme for modeling the energetics of metal adatom clusters on close-packed metal surfaces whose physical basis is the coordination dependence of metallic bonds. With a simple three-parameter model, we predict binding energies of over 20 Pt clusters in excellent agreement with the EAM calculations. The scheme provides a convenient way of including many-atom interactions in the energetics of two-dimensional (2D) metallic clusters, and should, therefore, be useful for studying the equilibrium properties of 2D metallic surfaces.

• OSTI ID: 6450551
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 51:12; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMIC CLUSTERS
BINDING ENERGY
BOND LENGTHS
COLLISIONS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DIMENSIONS
ELEMENTS
ENERGY
FCC LATTICES
FREE ENERGY
HCP LATTICES
HEXAGONAL LATTICES
LENGTH
METALS
PHYSICAL PROPERTIES
PLATINUM
PLATINUM METALS
SURFACE ENERGY
SURFACE PROPERTIES
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENTS