Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1815499 | Physica B: Condensed Matter | 2009 | 6 Pages |
Abstract
The electronic structures and absorption spectra for the perfect BaWO4 (BWO) crystal and the BWO crystal containing barium vacancy (VBa2-) have been studied by using density functional theory code CASTEP with the lattice structure optimized. For the BWO crystal containing VBa2-, there exhibit four absorption bands peaking at 0.71 eV (1751 nm), 1.85 eV (672 nm), 3.43 eV (362 nm) and 3.85 eV (322 nm), respectively. The origins of the absorption bands have been discussed and corresponding color centers also have been established.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Haiyan Zhang, Tingyu Liu, Qiren Zhang, Xi’en Wang, Xiaofeng Guo, Min Song, Jigang Yin,