Monte Carlo simulation of the nucleation and growth of binary-alloy particles of Au, Ag, and Pd on NaCl(100) substrates

Journal Article · Fri Jun 15 00:00:00 EDT 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.41.11875· OSTI ID:6826820

Schmidt, A; Schuenemann, V; Anton, R ^[1]

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1. Institut fuer Angewandte Physik, Universitaet Hamburg, Jungiusstrasse 11, D-2000 Hamburg 36 (Federal Republic of Germany)

The initial phase of thin-film formation from two components that are simultaneously deposited on a substrate was simulated by Monte Carlo calculations of adatom processes, e.g., surface diffusion, reevaporation, nucleation, and cluster growth by collisions and capture. Experiments had revealed that the condensation of Pd is nearly complete on NaCl at 300 {degree}C, whereas Au and Ag exhibit very low initial condensation coefficients. Therefore, the composition of the nuclei differs strongly from that of the vapor beam. Monte Carlo calculations of the composition at the early stage of Au-Pd and of Ag-Pd depositions were fitted to experimental data from earlier work, which allowed us to determine the differences of the atomic energy parameters of the components, e.g., of the energies of adsorption {ital E}{sub {ital a}} and of diffusion {ital E}{sub {ital d}} with high accuracy. These differences are ({ital E}{sub {ital a}}{minus}{ital E}{sub {ital d}}){sub Pd}{minus}({ital E}{sub {ital a}}{minus}{ital E}{sub {ital d}}){sub Au}=0.12{plus minus}0.03 eV, and ({ital E}{sub {ital a}}{minus}{ital E}{sub {ital d}}){sub Pd}{minus}({ital E}{sub {ital a}}{minus}{ital E}{sub {ital d}}){sub Ag}=0.25{plus minus}0.05 eV.

• OSTI ID: 6826820
• Journal Information: Physical Review, B: Condensed Matter; (USA), Vol. 41:17; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
SODIUM CHLORIDES
CRYSTAL GROWTH
NUCLEATION
ACTIVATION ENERGY
ADSORPTION HEAT
BINARY ALLOY SYSTEMS
GOLD ALLOYS
MONTE CARLO METHOD
PALLADIUM ALLOYS
SILVER ALLOYS
ALKALI METAL COMPOUNDS
ALLOY SYSTEMS
ALLOYS
CHLORIDES
CHLORINE COMPOUNDS
ENERGY
ENTHALPY
HALIDES
HALOGEN COMPOUNDS
PHYSICAL PROPERTIES
PLATINUM METAL ALLOYS
SODIUM COMPOUNDS
THERMODYNAMIC PROPERTIES
360603* - Materials- Properties