Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1518590 | Journal of Physics and Chemistry of Solids | 2008 | 5 Pages |
Abstract
The electronic structures of BaWO4 crystals containing F-type color centers are studied within the framework of the fully relativistic self-consistent Dirac-Slater theory, using a numerically discrete variational (DV-Xα) method. It is concluded that F and F+ color centers have donor energy level in the forbidden band. The optical transition energies are 2.449 and 3.101 eV, which correspond to the 507 and 400 nm absorption bands, respectively. It is predicted that 400-550 nm absorption bands originate from the F and F+ color centers in BaWO4 crystals.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Haiyan Zhang, Tingyu Liu, Qiren Zhang, Xi'en Wang, Jigang Yin, Min Song, Xiaofeng Guo,