Atomic structure of InP(001)-(2×4): A dimer reconstruction

W. G. Schmidt, F. Bechstedt, N. Esser, M. Pristovsek, Ch. Schultz, and W. Richter
Phys. Rev. B 57, 14596 – Published 15 June 1998
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Abstract

The microscopic surface structure of InP(001) is investigated by combining first-principles total-energy calculations with soft-x-ray photoelectron spectroscopy and scanning tunneling microscopy. The 4×2 cation dimer model adapted from Ga-rich GaAs(001) surfaces as well as recently proposed, rather complex 2×4 trimer reconstruction models are found to be unstable. The energetically favored 2×4 reconstructions are stabilized by dimerized In and P atoms. Unlike the well-known GaAs surface, however, mixed In-P dimers are preferred for cation-rich surfaces due to the notable size difference between the material constituents.

  • Received 20 January 1998

DOI:https://doi.org/10.1103/PhysRevB.57.14596

©1998 American Physical Society

Authors & Affiliations

W. G. Schmidt* and F. Bechstedt

  • Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany

N. Esser, M. Pristovsek, Ch. Schultz, and W. Richter

  • Institut für Festkörperphysik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin, Germany

  • *Present address: Physics Department, North Carolina State University, Raleigh, NC 27695-8202. Electronic address: wgs@batman.physics.ncsu.edu

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Vol. 57, Iss. 23 — 15 June 1998

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