MICROSCOPIC THEORY AND SIMULATION OF ADATOM DIFFUSION ONIr(111)

S. Ouannasser, M. Habar, L. Stauffer, H. Dreyssé and L. T. Wille
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S. Ouannasser: Laboratoire de Physique et de Spectroscopie Electronique, URA 1435, FST, Université de Haute Alsace, 4 rue des Frères, Lumière, 68093 Mulhouse, France
M. Habar: Laboratoire de Physique et de Spectroscopie Electronique, URA 1435, FST, Université de Haute Alsace, 4 rue des Frères, Lumière, 68093 Mulhouse, France
L. Stauffer: Laboratoire de Physique et de Spectroscopie Electronique, URA 1435, FST, Université de Haute Alsace, 4 rue des Frères, Lumière, 68093 Mulhouse, France
H. Dreyssé: Institut de Physique et Chimie des Matériaux (IPCMS-GEMME), UMR 46 du CNRS – Université Louis Pasteur, 23 rue du Loess, 67037 Strasbourg, France
L. T. Wille: Department of Physics, Florida Atlantic University, Boca Raton, Florida 33431, USA

Surface Review and Letters (SRL), 1997, vol. 04, issue 05, 851-854

Abstract: Using a realistic tight-binding Hamiltonian we have calculated the effective cluster interactions that describe the ordering of adsorbed Ir atoms on theIr(111)surface. We have determined the relative stability of adatoms in "bulk" and "surface" sites and also mapped out the barrier between them. This information is then used as input in Monte Carlo simulations which allow us to determine typical diffusion behavior at various temperatures.

Keywords: 67.80.Mg; 68.35.Fx; 73.61.At; 81.10.Aj (search for similar items in EconPapers)
Date: 1997
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DOI: 10.1142/S0218625X97000900

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