Calculation of the hyperfine constants of Vk center in CaF2, SrF2 and BaF2
Description
The magnetic hyperfine constants of the V sub(K) center in CaF2, SrF2 and BaF2 have been calculated, assuming a phenomenological model, based on the F2 central molecule, to describe the wave function of the defect. The introduction of covalence, with the ions neighboring the central molecule, have shown that this is a better description for the defect than a simple central molecule model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested
Availability note (English)
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7276328.pdf
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Additional details
Additional titles
- Original title (Portuguese)
- Calculo dos constantes hiperfinas do centro Vk em CaF
Publishing Information
- Imprint Pagination
- 109 p.
- Report number
- INIS-mf--3232
INIS
- Country of Publication
- Brazil
- Country of Input or Organization
- Brazil
- INIS RN
- 7276328
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Thesis
- Descriptors DEI
- ALKALINE EARTH METAL COMPOUNDS; BARIUM FLUORIDES; CALCIUM FLUORIDES; CRYSTAL MODELS; ELECTRON SPIN RESONANCE; ELECTRONIC STRUCTURE; ENDOR; HYPERFINE STRUCTURE; STRONTIUM FLUORIDES; V CENTERS; WAVE FUNCTIONS
- Descriptors DEC
- BARIUM COMPOUNDS; CALCIUM COMPOUNDS; COLOR CENTERS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; FLUORIDES; FLUORINE COMPOUNDS; FUNCTIONS; HALIDES; HALOGEN COMPOUNDS; MAGNETIC RESONANCE; MATHEMATICAL MODELS; POINT DEFECTS; RESONANCE; STRONTIUM COMPOUNDS; VACANCIES