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

0142-2421

Chemistry ; Polymer and Materials Science

Wiley InterScience Backfile Collection 1832-2000

Physics

The Embedded Atom Method (EAM) is used to calculate the binding energy curves 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.

3 Tab.

Electronic Resource