Energetics and Vibrational States for Hydrogen on Pt(111)
| Autor: | Karl Jacobi, Kolja Bedürftig, Petri Salo, See-Chen Ying, Tapio Ala-Nissila, Yuemin Wang, Stefan C. Badescu, Gerhard Ertl |
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| Přispěvatelé: | Perustieteiden korkeakoulu, School of Science, Teknillisen fysiikan laitos, Department of Applied Physics, Aalto-yliopisto, Aalto University |
| Rok vydání: | 2002 |
| Předmět: |
Surface diffusion
electron energy loss spectroscopy Materials science Statistical Mechanics (cond-mat.stat-mech) Physics Electron energy loss spectroscopy FOS: Physical sciences General Physics and Astronomy vibrations of adsorbed molecules surface diffusion Brillouin zone Chemisorption first-principles calculations hydrogen Potential energy surface Monolayer platinum Atomic physics Adiabatic process Condensed Matter - Statistical Mechanics Harmonic oscillator |
| Zdroj: | Scopus-Elsevier Physical Review Letters |
| ISSN: | 1079-7114 0031-9007 |
| DOI: | 10.1103/physrevlett.88.136101 |
| Popis: | We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system. Comment: In press at Phys. Rev. Lett - to appear in April 2002 |
| Databáze: | OpenAIRE |
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