PARKER, S;
SONG, KS;
CATLOW, CRA;
STONEHAM, AM;
(1981)
GEOMETRY AND CHARGE-DISTRIBUTION OF H-CENTERS IN THE FLUORITE STRUCTURE.
J PHYS C SOLID STATE
, 14
(28)
4009 - 4015.
10.1088/0022-3719/14/28/005.
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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.
| Type: | Article |
|---|---|
| Title: | GEOMETRY AND CHARGE-DISTRIBUTION OF H-CENTERS IN THE FLUORITE STRUCTURE |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/0022-3719/14/28/005 |
| Publisher version: | http://dx.doi.org/10.1088/0022-3719/14/28/005 |
| Language: | English |
| Additional information: | Text made available to UCL Discovery by kind permission of IOP Publishing, 2012 |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/59717 |
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