Structural symmetry related signatures of the lattice dynamics in the phonon dispersion of surface reconstructed Ni(100) + (2 × 2)C

• Published in: Surface science Vol. 216; no. 1; pp. 139 - 152
• Main Authors: Mila, F., Szeftel, J., Auby, N.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.06.1989
• ISSN: 0039-6028; 1879-2758
• DOI: 10.1016/0039-6028(89)90648-1

The frequencies of the surface phonons and resonances are calculated as functions of the distortion in surface reconstructed Ni(100) + (2 × 2)C, at the centre of the Brillouin zone. The calculations are carried out for the two structures CcS and CcD, consistent with the observed diffraction pattern, by using different lattice dynamical models. Each phonon symmetry is dealt with separately. It is concluded that each combination of structure and lattice dynamics in the model has a signature with regard to a particular totally symmetric phonon at vanishing distortion. Comparing the calculated and measured phonon frequencies with respect to that property allows one to rule out one of the studied lattice dynamical models.