Cu+ diffusion and interionic potentials for Cu+ in alkali halides
Document Type
Article
Publication Date
1-1-1988
Abstract
Short-range interionic potentials for the substitutional Cu+ ion in alkali fluorides and chlorides are derived using a methodology that provides self-consistent electronic-structure treatment of a molecular cluster of ions that includes the impurity, embedded in a shell model lattice. The derived potentials are used to calculate the activation energy for Cu+ diffusion by the cation vacancy mechanism in these materials. For the only case where an experimental value is available, namely, KCl:Cu+, satisfactory agreement is found. © 1988 The American Physical Society.
Publication Title
Physical Review B
Recommended Citation
Meng, J.,
Pandey, R.,
Vail, J.,
&
Kunz, A.
(1988).
Cu+ diffusion and interionic potentials for Cu+ in alkali halides.
Physical Review B,
38(14), 10083-10086.
http://doi.org/10.1103/PhysRevB.38.10083
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/9997