Lattice relaxation at a metal surface

Raju P. Gupta
Phys. Rev. B 23, 6265 – Published 15 June 1981
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Abstract

It is shown that all interatomic potentials of the classical type—Morse, Lennard-Jones, etc.,—yield, by their very nature, an expansion of the interlayer separation between the topmost surface layers. No such prediction can be made a priori for the oscillatory-type potentials. Using a simple procedure to compute the relaxations, we also show that Friedel's tight-binding model for transition metals yields contraction for the (100), (110), and (111) surfaces of a face-centered-cubic transition metal, a result in agreement with experiment.

  • Received 20 August 1980

DOI:https://doi.org/10.1103/PhysRevB.23.6265

©1981 American Physical Society

Authors & Affiliations

Raju P. Gupta

  • Centre d'Etudes Nucléaires de Saclay, Section de Recherches de Métallurgie Physique, Boîte Postale N° 2, 91190 Gif sur Yvette, France

Comments & Replies

Comments on "Lattice relaxation at a metal surface"

K. Masuda
Phys. Rev. B 26, 5968 (1982)

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Vol. 23, Iss. 12 — 15 June 1981

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