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Electronic structures of CaWO4 crystal with F type color center

Shao Ze-Xu Zhang Qi-Ren Liu Ting-Yu Chen Jian-Yu

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Electronic structures of CaWO4 crystal with F type color center

Shao Ze-Xu, Zhang Qi-Ren, Liu Ting-Yu, Chen Jian-Yu
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  • The electronic structure of CaWO4 crystal containing F-type color centers are studied within the framework of the fully relativistic self-consistent Direc-Slater theory, using a numerically discrete variational (DV-Xα) method. We come to a conclusion that F and F+ color centers exhibit donor energy level located in the forbidden band. The optical transition energies are 1.92eV and 2.42eV, respectively, which correspond to the 650nm and 515nm absorption bands. It is predicted that the 650nm and 515nm absorption bands originate from the F and F+ centers in CaWO4 crystals.
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  • Abstract views:  7013
  • PDF Downloads:  901
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Publishing process
  • Received Date:  14 November 2006
  • Accepted Date:  29 November 2006
  • Published Online:  20 July 2007

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