Phys. Rev. B 23, 6265–6270 (1981)Lattice relaxation at a metal surfaceReceived 20 August 1980; published in the issue dated 15 June 1981 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. © 1981 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.23.6265
DOI:
10.1103/PhysRevB.23.6265
PACS:
See AlsoComment: K. Masuda, Comments on "Lattice relaxation at a metal surface", Phys. Rev. B 26, 5968 (1982). |
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