Abstract

By means of electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) measurements we found in stoichiometric BaFBr single crystals two additional oxygen centres. The first one is an O− ion on a bromide site, the second one consists of an oxygen molecular ion O−2 with one oxygen atom on a bromide site and one on a neighbouring fluoride site. In nonstoichiometric BaFBr powders we found a new room temperature stable hole centre. The powder EPR line can be simulated with the assumption that the it is an H-type F−2 centre on a fluoride site. This H-type centre is formed as a compensating hole centre to the F(Br−) centre.

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