Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1809174 | Physica B: Condensed Matter | 2015 | 4 Pages |
Abstract
Based on the density functional theory method, the ab initio calculation with GGA+U was performed to investigate the electronic structure and properties of W-doped TiO2. The results indicated that W-doping induced ferromagnetism and shifted the absorption spectra to visible light region. The ferromagnetism derived from the spin-split of O 2p and W 5d caused by p–d orbit hybridization. Several impurity bands under the conduction band decreased the band gap. The experiment results illustrated that the ferromagnetism had occurred and the absorption spectra had a shift to visible light region in W-doped TiO2 samples. The experiment results are consistent with the calculation ones.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Chang wei Gong, Jun rong Jiao, Jia heng Wang, Wei Shao,