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Spectroscopic Parameters of the Heteronuclear Diatomic Molecules of Ni, Pd, Pt, Cu, Ag and Au

✍ Scribed by Finley, C. W.; Ferrante, John

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 309 KB
Volume: 24
Category: Article
ISSN: 0142-2421
DOI: 10.1002/(sici)1096-9918(199602)24:2<133::aid-sia93>3.0.co;2-0

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✦ Synopsis

The Embedded Atom Method (EAM) is used to calculate the binding energy curvcs for heteronuclear diatomic molecules of Ni, Pd, Pt, Cu, Ag and Au. The EAM potentials for the homonuclear metals are modified using two-body potentials for the AB alloys developed by R. A. Johnson. The binding energy curves are fit to the Morse potential and the spectroscopic parameters are determined. For the diatomic alloys for which there are experimental data, EAM gives good agreement in binding energy and the equilibrium harmonic frequency and good agreement for the anharmonicity constant.

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