Physics – Condensed Matter – Materials Science
Scientific paper
2001-11-13
Physics
Condensed Matter
Materials Science
6 figures, to appear in Sur. Sci. proceedings of VAS10
Scientific paper
10.1016/S0039-6028(01)01992-6
We present an analysis of the vibrational dynamics of metal vicinal surfaces using the embedded atom method to describe the interaction potential and both a real space Green's function method and a slab method to calculate the phonons. We report two main general characteristics : a global shift of the surface vibrational density of states resulting from a softening of the force field. The latter is a direct result of the reduction of coordination for the different type of surface atoms; and an appearance of high frequency modes above the bulk band, resulting from a stiffening of the force field near the step atom. The latter is due to a rearrangement of the atomic positions during the relaxation of the surface atoms yielding a large shortening of the nearest neighbor distances near the step atoms.
Kara Abdelkader
Rahman Talat S.
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