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Structure and dynamics of model Ag and Pt clusters

✍ Scribed by Julia Uppenbrink; D. J. Wales


Publisher
Springer
Year
1993
Tongue
English
Weight
356 KB
Volume
26
Category
Article
ISSN
1434-6060

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πŸ“œ SIMILAR VOLUMES


Structure and dynamics at the Pt(100)-su
✍ A. Wachter; K. P. Bohnen; K. M. Ho πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 555 KB

Using first-principles total-energy CalCUlatiOnS the lattice relaxation, surface energy, work function and surface phonons have been determined for the Pt( 100)-surface. Calculation of forces allows for a very efficient determination of equilibrium geometries and interplanar force constants. Results