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• W2000991216 abstract "One of the most conspicuous colour centres in MeF2:A+ (Me=Ca, Sr; A=Li, Na, K) is the so-called “Fe”. It is investigated whether this centre may really be composed of three neighbouring fluorine vacancies, along a [0, 0, 1] direction, decorated by two electrons, with an alkaline impurity A+ in the vicinity. This structure seems to be ruled out by a comparison of the experimental magnetic circular dichroǐsm data of other authors with the results of present Hartree-Fock calculations of the energy levels of linear F centres in fluorite-like lattices. For this calculation, an H hydrogen molecular ion model is used similar to the ones which have already proved efficient in several other colour centre problems.L'un des centres colores les plus importants dans MeF2:A+ (Me=Ca, Sr; A=Li, Na, K) est celui que l'on appelle “F”. Nous examinons s'il peut ětre reellement constitue de trois lacunes de fluor voisines, alignees le long d'un axe [0, 0, 1], decorees par deux electrons, avec une impurete alcaline A+ au voisinage. Cette structure semble exclue par la comparaison entre les donnees de dichroǐsme circulaire magnetique d'autres auteurs et les resultats de notre present calcul Hartree-Fock des niveaux d'energie de centres lineaires F dans les reseaux de CaF2 et SrF2. Nous avons utilise pour ce calcul un modele d'ion moleculaire hydrogene H, analogue a ceux qui se sont deja reveles efficaces pour plusieurs autres problemes de physique des centres colores." @default.
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• W2000991216 date "1991-03-01" @default.
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• W2000991216 title "A Theoretical Investigation about the “F3A+” Centre in MeF2:A+ (MeCa, Sr; ALi, Na, K)" @default.
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• W2000991216 doi "https://doi.org/10.1002/pssb.2221640104" @default.
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