A theoretical study of the energies of formation of point defects in CaF 2 and UO 2
- 1 January 1971
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine
- Vol. 23 (181) , 199-204
- https://doi.org/10.1080/14786437108216373
Abstract
The Born model of the ionic crystal is used to calculate the energies of formation of point defects in CaF2 and UO2 in the zeroth, first and second orders. The results of calculation, to all orders, indicate that anion-Frenkel pairs are the intrinsic defects in CaF2 and are in agreement with previous calculations. In UO2 the zeroth-order calculation predicts anion-Frenkel pairs as the intrinsic defects, whereas the higher-order calculations indicate that Schottky defects are the intrinsic defects. It is concluded that Schottky defects are the intrinsic defects in UO2 with an energy of formation of about 7 ev.Keywords
This publication has 8 references indexed in Scilit:
- Calculation of energy of formation of vacancy pairs in alkali halidesJournal of Physics C: Solid State Physics, 1970
- Born model calculation of defect energies in CaF2Journal of Physics and Chemistry of Solids, 1968
- The energy of formation of Schottky defects in ionic crystalsPhilosophical Magazine, 1967
- Long-Wave Lattice Dynamics of the Fluorite StructurePhysical Review B, 1965
- THE CRYSTAL DYNAMICS OF URANIUM DIOXIDECanadian Journal of Physics, 1965
- Elastic constants of single crystal UO2 at 25° CJournal of Nuclear Materials, 1965
- Ionic Conductivity of Calcium Fluoride CrystalsThe Journal of Chemical Physics, 1957
- On the calculation of certain crystal potential constants, and on the cubic crystal of least potential energyProceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1925