High-frequency vibrational modes at stepped Pt(111) surfaces
Journal Article
·
· Phys. Rev., B: Condens. Matter; (United States)
We show that vibrational modes with frequencies above the maximum in the bulk can occur at the steps of the Pt(332) or 6(111) x (111) surface, as observed by Ibach and Bruchmann, if the largest force constants are increased by approx.30--40 percent at the steps. The calculations are done by applying the recursion method within clusters of thousands of atoms, with a rotationally invariant first- and second-neighbor bond-angle model for the interatomic forces.
- Research Organization:
- Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830
- OSTI ID:
- 5955332
- Journal Information:
- Phys. Rev., B: Condens. Matter; (United States), Journal Name: Phys. Rev., B: Condens. Matter; (United States) Vol. 20:4; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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