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SELF TRAPPED HOLE IN ALKALINE-EARTH FLUORIDES .1. STATIC PROPERTIES

NORGETT, MJ; STONEHAM, AM; (1973) SELF TRAPPED HOLE IN ALKALINE-EARTH FLUORIDES .1. STATIC PROPERTIES. J PHYS C SOLID STATE , 6 (2) 229 - 237. 10.1088/0022-3719/6/2/004. Green open access

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Abstract

Optical and spin resonance properties have been calculated for the self trapped hole (Vk centre) in CaF2, SrF2 and BaF2. The electronic properties are regarded as those of an F2- molecular ion whose internuclear spacing has been changed by the crystalline environment, and evidence is given that this is a good approximation. The spacing is obtained from a detailed lattice relaxation calculation allowing motion of many neighbours to the defect. The results are not sensitive to the different interatomic potentials used. Good agreement with experiment is obtained for optical transition energies and linewidths and for spin resonance parameters.

Type: Article
Title: SELF TRAPPED HOLE IN ALKALINE-EARTH FLUORIDES .1. STATIC PROPERTIES
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0022-3719/6/2/004
Publisher version: http://dx.doi.org/10.1088/0022-3719/6/2/004
Language: English
Additional information: Text made available to UCL Discovery by kind permission of IOP Publishing, 2012
UCL classification: UCL > School of BEAMS
UCL > School of BEAMS > Faculty of Maths and Physical Sciences
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/59731
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