Structure and dynamics at the Pd(100) surface
作者： A Wachter , K.P Bohnen , K.M Ho
DOI: 10.1016/0039-6028(95)04937-1
关键词:
摘要: Using first-principles total-energy calculations the lattice relaxation, surface energy, work function and phonons have been determined for Pd(100) surface. Calculation of forces allows a very efficient determination equilibrium geometries interplanar force constants. Results will be presented compared with available experimental information as well other theoretical treatments.
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