Study of defect structure of calcium sulphide
- 1 February 1984
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 49 (2) , 135-141
- https://doi.org/10.1080/13642818408227632
Abstract
A theoretical study has been made of the defect structure of calcium sulphide. Empirical interatomic potentials are obtained from the analysis of crystal data for calcium and sodium sulphides. Defect energies are calculated using the Harwell HADES program which is based on a generalized Mott—Littleton method. The results predict the dominance of Schottky disorder in the crystal. The activation energy for the migration of both anions and cations is calculated. The results are in good agreement with the experimental data, suggesting that vacancy migration predominates. The results show that the ionic model works for sulphides, and its application to other chalcogenide systems is discussed.Keywords
This publication has 19 references indexed in Scilit:
- Thermoluminescence due to intrinsic point defects in polycrystalline calcium sulphideJournal of Physics C: Solid State Physics, 1982
- Defect energies in ZnSeJournal of Physics C: Solid State Physics, 1982
- DC electroluminescence in alkaline earth sulphidesJournal of Luminescence, 1981
- Bitter figure observations on U3As4 at low temperaturesPhysica Status Solidi (a), 1979
- Cathodoluminescence of CaS:Ce[sup 3+] and CaS:Eu[sup 2+] PhosphorsJournal of the Electrochemical Society, 1971
- Glockler's equation for ionization potentials and electron affinities: IIProceedings of the Physical Society, 1964
- Electron spin resonance studies of radiation effects in inorganic solidsDiscussions of the Faraday Society, 1961
- Theory of the Dielectric Constants of Alkali Halide CrystalsPhysical Review B, 1958
- Lattice Energies of Ionic Cubic CrystalsPhysical Review B, 1957
- Conduction in polar crystals. I. Electrolytic conduction in solid saltsTransactions of the Faraday Society, 1938