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On the Quantum Theoretical Calculation of Activation Energies for the Self‐Diffusion of Single Atoms and the Diffusion of Adatoms on Metal Surfaces (I)
Author(s) -
Winzer A.
Publication year - 1979
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19790140713
Subject(s) - diffusion , activation energy , surface diffusion , single crystal , chemistry , metal , crystal (programming language) , quantum , oscillation (cell signaling) , atomic physics , condensed matter physics , molecular physics , thermodynamics , crystallography , adsorption , quantum mechanics , physics , biochemistry , computer science , programming language , organic chemistry
By application and modification of the equation given by A. Einstein for calculating the internal oscillation energy of crystals, the activation energies for the self‐diffusion of single atoms on the metal surfaces of Rh, Pt, and for the surfaces diffusion of adatoms on metal surfaces were calculated on the basis of quantum theory from the surface Debye frequency and the bulk Debye frequency, neglecting the frequency distribution. A comparison of the activation energies calculated by quantum theory with the experimental values of the literature obtained by the field‐ion microscope shows a relatively good agreement for the single crystal surfaces and temperature ranges. The calculation showed a strong increase of the activation energies for the self‐diffusion at higher temperatures and a relatively great dependence on the respective crystal surface of the metal. Analogous results were also obtained for the surface diffusion of adatoms on the metals.