Nature, Strength, and Consequences of Indirect Adsorbate Interactions on Metals

A. Bogicevic; S. Ovesson; P. Hyldgaard; B. I. Lundqvist; H. Brune; D. R. Jennison

doi:10.1103/PhysRevLett.85.1910

Nature, Strength, and Consequences of Indirect Adsorbate Interactions on Metals

A. Bogicevic, S. Ovesson, P. Hyldgaard, B. I. Lundqvist, H. Brune, and D. R. Jennison

Phys. Rev. Lett. 85, 1910 – Published 28 August 2000

Abstract

Atoms and molecules adsorbed on metals affect each other indirectly even over considerable distances. Via systematic density-functional calculations, we establish the nature and strength of such interactions, and explain for what adsorbate systems they critically affect important materials properties. This is verified in kinetic Monte Carlo simulations of epitaxial growth, which help rationalize a number of recent experimental reports on anomalously low diffusion prefactors.

Received 31 January 2000

DOI:https://doi.org/10.1103/PhysRevLett.85.1910

Authors & Affiliations

A. Bogicevic^1,*, S. Ovesson², P. Hyldgaard², B. I. Lundqvist², H. Brune³, and D. R. Jennison⁴

¹Chemistry Department, Ford Research Laboratory, MD 3083 SRL, Dearborn, Michigan 48121-2053
²Department of Applied Physics, Chalmers University of Technology and Göteborg University, S-412 96 Göteborg, Sweden
³Institut de Physique Expérimentale, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
⁴Surface and Interface Sciences Department, Sandia National Laboratories, Albuquerque, New Mexico 87185-1421