EMBEDDED ATOM METHOD STUDY OF SURFACE ALLOYING OFAlONPd(001)

A. Bilić, B. V. King and D. J. O'Connor
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A. Bilić: Department of Physics, University of Newcastle, Callaghan NSW 2308, Australia
B. V. King: Department of Physics, University of Newcastle, Callaghan NSW 2308, Australia
D. J. O'Connor: Department of Physics, University of Newcastle, Callaghan NSW 2308, Australia

Surface Review and Letters (SRL), 1999, vol. 06, issue 03n04, 399-404

Abstract: We have simulated the structure and energetics of thin films created by the deposition of Al ontoPd(001). The study has been carried out within the semiempirical embedded atom method (EAM), utilizing a Pd–Al potential from the literature and two other alloy potentials generated from elemental potentials. Only one of the potentials reproduces the experimentally observed reconstruction. Problems with the construction and validity of the alloy potentials are highlighted.

Date: 1999
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DOI: 10.1142/S0218625X99000408

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