<atl>The electronic structure of color centers in BaF<f>2</f>

This paper calculated the electronic structure of color centers in BaF<f>2</f> crystal (including F-, F<f>+</f>-, F<f>A</f>[Sr]-, V-centers) by using the embedded-cluster discrete variational method. A comparison between calculated results and optical experimental results confirms that the 640 and 580nm absorption peak is attributed to F-center and F<f>A</f>-center, respectively, and there exists the reserve transformation of F<f>A</f>-center <f>↔</f> F-center. The 1.0 eV luminescence peak in thermoluminescence spectrum is attributed to V-center. Meanwhile, a movement of the Fermi energy level of BaF<f>2</f> is due to presence of color centers. [Copyright &y& Elsevier]