Using electron energy loss spectroscopy, we have found step-localized vibrational modes with frequencieshigher than those of the bulk phonons on Cu(532) and Cu(211). From structural and lattice dynamical calcu-lations based on many-body interaction potentials, we trace the origin of these modes to local effects involvingsurface relaxations and resulting stiffening of force constants between the step (or kink-site) atom and its‘‘bulk’’ nearest neighbor. Such modes are not observed on Cu(511) and Cu(17,1,1), although they are pre-dicted in the theoretical calculations. We discuss the impact of these results on systems with bond-length–bond-order correlation.
High-frequency phonon modes on stepped and kinked Cu surfaces: Experiments and theory / Abdelkader, Kara; Pavlin, Staikov; TALAT S., Rahman; Jrg, Radnik; Biagi, Roberto; HANS JOACHIM, Ernst. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - STAMPA. - 61:8(2000), pp. 5714-5718. [10.1103/PhysRevB.61.5714]
High-frequency phonon modes on stepped and kinked Cu surfaces: Experiments and theory
BIAGI, Roberto;
2000
Abstract
Using electron energy loss spectroscopy, we have found step-localized vibrational modes with frequencieshigher than those of the bulk phonons on Cu(532) and Cu(211). From structural and lattice dynamical calcu-lations based on many-body interaction potentials, we trace the origin of these modes to local effects involvingsurface relaxations and resulting stiffening of force constants between the step (or kink-site) atom and its‘‘bulk’’ nearest neighbor. Such modes are not observed on Cu(511) and Cu(17,1,1), although they are pre-dicted in the theoretical calculations. We discuss the impact of these results on systems with bond-length–bond-order correlation.Pubblicazioni consigliate
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