Point-Defects in Magnesium Sulfide
Document Type
Article
Publication Date
1-1-1994
Abstract
The results of a study of point defects in MgS are presented. First we obtain empirical interionic potentials in the framework of a shell model and then calculate defect energies using the HADES and ICECAP Simulation procedures. The calculated Schottky formation energy is 10.9 eV in comparison to the cation and anion Frenkel formation energies of 11.9 and 25.1 eV, respectively. The migration energy by the vacancy mechanism of the Mg2+ and S2- ions is predicted to be 2.5 and 3.4 eV, respectively. One-electron ICECAP calculations yield the optical absorption energy of 3.1 eV for the F+ center in MgS. © 1994, Materials Research Society. All rights reserved.
Publication Title
Journal of Materials Research
Recommended Citation
Puntambekar, U.,
Veliah, S.,
&
Pandey, R.
(1994).
Point-Defects in Magnesium Sulfide.
Journal of Materials Research,
9(1), 132-134.
http://doi.org/10.1557/JMR.1994.0132
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/13531