Properties of nitrogen-doped titanium oxides

详细信息	查看全文 | 推荐本文 |

• 作者：D.G.F. David^a ; ^{denis.david@uol.com.br} ; J. Guerreiro^a ; M.V.S. da Silva^a ; M.V. Castro Meira^a ; ^b ; P. Bargiela^a ; J.S. de Almeida^a ; J.A. Freitas Jr.^c ; A. Ferreira da Silva^a
• 关键词：A1. Characterization ; A1. Doping ; A3. Polycrystalline deposition ; B1. Oxides ; B1. Titanium compounds
• 刊名：Journal of Crystal Growth
• 出版年：2012
• 期刊代码：49_00220248
• 类别：ch
• 出版时间：1 July, 2012
• 卷：350
• 期：1
• 页码：11-16
• 文件大小：1187 K

摘要

The structural, optical, and electronic properties of nitrogen doped TiO₂ have been investigated experimentally and theoretically. The electronic and optical properties are investigated by using the first principles calculations in the framework of density functional theory and based on the full-potential linearized augmented plane wave method. The local density approximation plus on site Coulomb interaction was used for the exchange and correlation potential. The absorption and dielectric functions experimental data of as-grown sample show very good agreement with the theory.