Geometry and charge distribution of H centres in the fluorite structure
- 10 October 1981
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 14 (28) , 4009-4015
- https://doi.org/10.1088/0022-3719/14/28/005
Abstract
The analysis of experimental optical and spin-resonance data for the H centre gives a consistent picture of the local geometry and one-electron wavefunctions. One of the two ions in the F2- molecular ion remains very close to the perfect lattice site the other is at a distance close to that found in other F2- centres. This analysis is confirmed by atomistic calculations using the HADES code. The results are used to give a preliminary analysis of the self-trapped exciton data.Keywords
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