Do WE UNDERSTAND THE STRUCTURE OF THE GALLIUM-RICH SURFACE of GaAs(001)? EXPERIMENTAL AND THEORETICAL APPROACHES

D. Paget (), Olivia Pulci, M. Sauvage, Y. Garreau, Lucia Reining, P. Chiaradia, F. Bechstedt and R. Pinchaux
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D. Paget: Laboratoire Physique de la Matière Condensée, École Polytechnique, F-91128 Palaiseau, France
Olivia Pulci: Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, D-07743 Jena, Germany;
M. Sauvage: LURE, CNRS-MR-CEA, Bâtiment 209d, Centre Universitaire Paris-Sud, BP34, F 91898 Orsay, France;
Y. Garreau: LURE, CNRS-MR-CEA, Bâtiment 209d, Centre Universitaire Paris-Sud, BP34, F 91898 Orsay, France
Lucia Reining: Laboratoire des Solides Irradiés, UMR 7642 CNRS/CEA, École Polytechnique, F-91128 Palaiseau, France
P. Chiaradia: Istituto Nazionale per la Fisica della Materia, Dipartimento di Fisica dell'Università di Roma "Tor Vergata," Via della Ricerca Scientifica, I-00133 Roma, Italy
F. Bechstedt: Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, D-07743 Jena, Germany
R. Pinchaux: LURE, CNRS-MR-CEA, Bâtiment 209d, Centre Universitaire Paris-Sud, BP34, F 91898 Orsay, France

Surface Review and Letters (SRL), 2002, vol. 09, issue 03n04, 1497-1510

Abstract: While the As-rich 2 × 4 reconstruction of GaAs(001) is well explained by the so-called β2structure, the atomic structure of the Ga-rich 4 × 2 phase has been discussed for a long time. In this review, the most important structural models for the GaAs(001) (4 × 2)/c(8 × 2) surface are compared from different theoretical and experimental points of view. The selected reconstructions include the recently proposed ζ model, a new mixed dimer model, and the well-known β, β2, Cerdà and Skala models. The different structures are compared on the basis of total energy calculations, simulations of STM experimental images and interpretation of X-ray diffraction data. Only the ζ model satisfies all criteria, and provides therefore a satisfactory explanation of the atomic structure of GaAs(001)-(4 × 2).

Keywords: Density functional calculations; X-ray scattering; diffraction; surface structure; gallium arsenide (search for similar items in EconPapers)
Date: 2002
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DOI: 10.1142/S0218625X02003858

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