1996Surface and Interface AnalysisOpen access

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

C. W. Finley, John Ferrante

Open full text 2 citations

Abstract

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.

Open-access reader

About this research paper

What this paper is about

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.

Why it matters

OpenAlex reports 2 citations for this work. Citation counts describe recorded attention and do not establish research quality.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available abstract

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.

Key concepts: Heteronuclear molecule, Homonuclear molecule, Diatomic molecule, Anharmonicity, Morse potential, Chemistry, Binding energy, Potential energy

Related papers

Back to paper searchBrowse research topicsOriginal source
Spectroscopic Parameters of the Heteronuclear Diatomic Molecules of Ni, Pd, Pt, Cu, Ag and Au — Research Paper | ScholarLens