Published online by Cambridge University Press: 21 February 2011
The radiation effect in hydrolyzed BaF2 was investigated through tile changes in their optical absorption and EPR spectra before and after γ-irradiation. The resulti demonstrated that hydroxyl and oxygen can be easily introduced into BaF2by means of a hydrolysis, the most likely modes are OH— ions substituting for fluorine and O2– ions substituting for fluorine associated with charge-compensating fluorine vacancies O2– — F+. Combining with the Hartree-Fock-Slater local-density discrete variational (HFS-Xα-DV) cluster calculation on some possible defects related to hydrogen and oxygen impurities, we propose that the radiation damage observed in hydrolyzedBaF2 can be explained in terms of OH— and O2– — F+ dissociation through a radiolysis.