Characterization of Fluorine-doped Magnesium oxide: A Computer Simulation Study

Authors

Ravindra Pandey, Michigan Technological UniversityFollow
A. Barry kunz, Michigan Technological University

Document Type

Article

Publication Date

1990

Department

Department of Physics

Abstract

A computer simulation study is performed to characterize F^--doped MgO. The impurity potentials, namely F^--Mg²⁺ and F^--O^2- are derived using ICECAP and are then used to study F^- diffusion in MgO. The activation energy by vacancy mechanism comes out to be 1.53 eV. The excitonic state associated with the F^- ion is also studied. Furthermore, the excess electron associated with the F^- ion is predicted to be unbound in the lattice.

Publisher's Statement

© 1990

Publication Title

Journal of Physics and Chemistry of Solids

Recommended Citation

Pandey, R., & Barry kunz, A. (1990). Characterization of Fluorine-doped Magnesium oxide: A Computer Simulation Study. Journal of Physics and Chemistry of Solids, 51(8), 929-931. http://doi.org/10.1016/0022-3697(90)90034-D
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/5360