Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction
Due to its large band gap (3.2 eV), TiO2 cannot absorb sun light effectively. To reduce its band gap, various approaches have been attempted; most of them are using doping to modify its band structure. Using first-principles band structure calculations, we show that unlike the rutile phases, the ban...
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| Veröffentlicht in: | Applied physics letters 2010-05, Vol.96 (22) |
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| container_title | Applied physics letters |
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| creator | Yin, Wan-Jian Chen, Shiyou Yang, Ji-Hui Gong, Xin-Gao Yan, Yanfa Wei, Su-Huai |
| description | Due to its large band gap (3.2 eV), TiO2 cannot absorb sun light effectively. To reduce its band gap, various approaches have been attempted; most of them are using doping to modify its band structure. Using first-principles band structure calculations, we show that unlike the rutile phases, the band gap of TiO2 in the anatase phase can be effectively reduced by applying stress along a soft direction. We propose that this approach of tuning the band gap by applying stress along soft direction of a layered semiconductor is general and should be applicable to other anisotropic materials. |
| doi_str_mv | 10.1063/1.3430005 |
| format | Article |
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(NREL), Golden, CO (United States)</creatorcontrib><title>Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction</title><title>Applied physics letters</title><description>Due to its large band gap (3.2 eV), TiO2 cannot absorb sun light effectively. To reduce its band gap, various approaches have been attempted; most of them are using doping to modify its band structure. Using first-principles band structure calculations, we show that unlike the rutile phases, the band gap of TiO2 in the anatase phase can be effectively reduced by applying stress along a soft direction. 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To reduce its band gap, various approaches have been attempted; most of them are using doping to modify its band structure. Using first-principles band structure calculations, we show that unlike the rutile phases, the band gap of TiO2 in the anatase phase can be effectively reduced by applying stress along a soft direction. We propose that this approach of tuning the band gap by applying stress along soft direction of a layered semiconductor is general and should be applicable to other anisotropic materials.</abstract><cop>United States</cop><pub>American Institute of Physics (AIP)</pub><doi>10.1063/1.3430005</doi></addata></record> |
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| ispartof | Applied physics letters, 2010-05, Vol.96 (22) |
| issn | 0003-6951 1077-3118 |
| language | eng |
| recordid | cdi_osti_scitechconnect_1054390 |
| source | AIP Journals Complete; AIP Digital Archive; Alma/SFX Local Collection |
| subjects | chemical stability CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS MATERIALS SCIENCE photocatalytic photovoltaics solar SOLAR ENERGY TiO2 |
| title | Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction |
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