Quasi-harmonic calculations of the isotope effect in diffusion
J H Harding; J H Harding; Div. of Theor. Phys., Harwell Lab., Oxon, UK
Журнал:
Journal of Physics C: Solid State Physics
Дата:
1986-11-10
Аннотация:
The author shows how the kinetic energy factor for isotope diffusion may be calculated within the quasi-harmonic approximation using methods devised to calculate the vibrational contribution to defect entropies. The results are compared with experiment in the cases of CoO and NiO and good agreement found.
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