Formation, stability, and atomic structure of the Si(111)(6×6)Au surface reconstruction: A quantitative study using synchrotron radiation

R. Daudin, T. Nogaret, A. Vaysset, T. U. Schülli, A. Pasturel, and G. Renaud
Phys. Rev. B 91, 165426 – Published 23 April 2015
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Abstract

The conditions of formation of the Au-induced Si(6×6) reconstruction, its stability, as well as its atomic structure are studied experimentally using grazing incidence x-ray diffraction techniques. This reconstruction is found to form at 680 K when cooling down eutectic droplets previously obtained by the dewetting of thin gold films deposited at room temperature on a Si(111) substrate. The quality of the reconstruction is found to depend on the annealing temperature. The formation of the (6×6) reconstruction at low temperature after it has been destroyed by ion bombardment, together with the recovery of the Si surface, give evidence of its high stability and highlight the surfactant properties of gold atoms. The determination of the Si(111)(6×6)Au atomic structure is performed using quantitative surface x-ray diffraction with an existing complex model proposed in the literature as a starting structure. The resulting gold structure is found to be 1 ML thick and consists in two domains related by a mirror. They are composed of trimer and pentagonal units with special sites presenting a partial occupancy of 0.5. Our experimental data set does not provide enough accuracy to determine the positions of the Si atoms of the substrate, but ab initio calculations tend to confirm that they are only slightly displaced from the bulk position.

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  • Received 6 January 2015
  • Revised 7 April 2015

DOI:https://doi.org/10.1103/PhysRevB.91.165426

©2015 American Physical Society

Authors & Affiliations

R. Daudin1,*, T. Nogaret2, A. Vaysset1,†, T. U. Schülli3, A. Pasturel2, and G. Renaud1

  • 1Univ. Grenoble Alpes, INAC-S2PM and CEA, INAC-SP2M, F-38000 Grenoble, France
  • 2Science et Ingénierie des Matériaux et des Procédés, INP Grenoble, UJF-CNRS, 1130, rue de la Piscine, BP 75, 38402 d'Héres Cedex, France
  • 3Beamline ID01, European Synchrotron Research Facility, 6 rue Jules Horowitz, BP 220 F-38043 Grenoble CEDEX 9, France

  • *Present address: Science et Ingénierie des Matériaux et des Procédés, Groupe Génie Physique et Mécanique des Matériaux BP 75-1130 rue de la Piscine 38402 Saint-Martin d'Héres, France; remi.daudin@simap.grenoble-inp.fr.
  • Present address: Departement elektrotechniek (ESAT), KU Leuven, Oude Markt 13, 3000 Leuven, Belgium.

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Issue

Vol. 91, Iss. 16 — 15 April 2015

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