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Structure and dynamics at the Pt(100)‐surface
Author(s) -
Wachter A.,
Bohnen K. P.,
Ho K. M.
Publication year - 1996
Publication title -
annalen der physik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.009
H-Index - 68
eISSN - 1521-3889
pISSN - 0003-3804
DOI - 10.1002/andp.2065080302
Subject(s) - phonon , surface phonon , force constant , surface (topology) , work (physics) , relaxation (psychology) , surface energy , materials science , lattice (music) , function (biology) , dynamics (music) , condensed matter physics , physics , work function , statistical physics , thermodynamics , nanotechnology , quantum mechanics , molecule , geometry , psychology , social psychology , mathematics , evolutionary biology , biology , acoustics , layer (electronics)
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.