Structural, Optical and Magnetic Properties of W-Doped TiO₂

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.

• Periodical: Applied Mechanics and Materials (Volumes 556-562)
• Pages: 330-334
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.556-562.330
• Online since: May 2014
• Authors: Jun Rong Jiao*, Jia Heng Wang, Chang Wei Gong, Yue Sheng Chai, Wei Shao
• Keywords: Ab Initio Study, Dilute Magnetic Semiconductor, Magnetic Property, Optical Property

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