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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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