✦ LIBER ✦

Structure and dynamics at the Pt(100)-surface

✍ Scribed by A. Wachter; K. P. Bohnen; K. M. Ho

Publisher: John Wiley and Sons
Year: 2010
Tongue: English
Weight: 555 KB
Volume: 508
Category: Article
ISSN: 0003-3804
DOI: 10.1002/andp.2065080302

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✦ Synopsis

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 will be presented and compared with available experimental information.

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