Do we understand the structure of the gallium-rich surface of GaAs(001)? Experimental and theoretical approaches

TitleDo we understand the structure of the gallium-rich surface of GaAs(001)? Experimental and theoretical approaches
Publication TypePalaiseau Article
Acknowledgements

None

Author Address

Paget, D (Reprint Author), Ecole Polytech, Phys Mat Condensee Lab, F-91128 Palaiseau, France. Ecole Polytech, Phys Mat Condensee Lab, F-91128 Palaiseau, France. Univ Jena, Inst Festkorpertheorie & Theoret Opt, D-07743 Jena, Germany. Ecole Polytech, CEA, UMR 7642 CNRS, Solides Irradies Lab, F-91128 Palaiseau, France. Ctr Univ Paris Sud, CNRS MR CEA, LURE, F-91898 Orsay, France. Lab Mineral Cristallog, F-75252 Paris 05, France. Univ Roma Tor Vergata, Ist Nazl Fis Mat, Dipartimento Fis, I-00133 Rome, Italy.

Paget, D, Pulci, O, Sauvage, M, Garreau, Y, Reining, L, Chiaradia, P, Bechstedt, F, Pinchaux, R
Year of Publication2002
JournalSurface Review and Letters
Volume9
Keywordsdensity functional calculations; X-ray scattering; diffraction; surface structure; gallium arsenide, paper
Abstract

While the As-rich 2 x 4 reconstruction of GaAs(001) is well explained by the so-called beta(2) structure, the atomic structure of the Ga-rich 4 x 2 phase has been discussed for a long time. In this review, the most important structural models for the GaAs(001) (4 x 2)/c(8 x 2) surface are compared from different theoretical and experimental points of view. The selected reconstructions include the recently proposed model, a new mixed dimer model, and the well-known beta, beta(2), Cerda and Skala zeta 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 zeta model satisfies all criteria, and provides therefore a satisfactory explanation of the atomic structure of GaAs(001)-(4 x 2).

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