Nature, strength, and consequences of indirect adsorbate interactions on metals

Journal Article · Sun Feb 13 23:00:00 EST 2000 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.85.1910· OSTI ID:751249

BOGICEVIC, ALEXANDER ^[1]; OVESSON, S; HYLDGAARD, P; LUNDQVIST, B I; JENNISON, DWIGHT R

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1. Sandia National Laboratories

Atoms and molecules adsorbed on metals affect each other even over considerable distances. In a tour-de-force of density-functional methods, the authors establish the nature and strength of such indirect interactions, and explain for what adsorbate systems they can critically affect important materials properties. These perceptions are verified in kinetic Monte Carlo simulations of epitaxial growth, and help rationalize a cascade of recent experimental reports on anomalously low diffusion prefactors. The authors focus their study on two metal systems: Al/Al(111) and Cu/Cu(111).

• Research Organization: Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
• Sponsoring Organization: US Department of Energy (US)
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 751249
• Report Number(s): SAND2000-0419J
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ADSORPTION
ALUMINIUM
ATOMS
COPPER
MOLECULES
MONTE CARLO METHOD
SORPTIVE PROPERTIES