The electronic structures and optical properties of B, C or N doped BaTiO3
The electronic structures and optical properties of Boron, Carbon or Nitrogen doped BaTiO3 are calculated by the first-principles calculations. The doped atoms decrease the band gap of BaTiO3 significantly, which could increase the host material ability to absorb the visible light. The absorption sp...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2018-09-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5047094 |
| _version_ | 1819022924494929920 |
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| author | Zhuang Teng Jiajun Jiang Gaoyuan Chen Chunlan Ma Feiwu Zhang |
| author_facet | Zhuang Teng Jiajun Jiang Gaoyuan Chen Chunlan Ma Feiwu Zhang |
| author_sort | Zhuang Teng |
| collection | DOAJ |
| description | The electronic structures and optical properties of Boron, Carbon or Nitrogen doped BaTiO3 are calculated by the first-principles calculations. The doped atoms decrease the band gap of BaTiO3 significantly, which could increase the host material ability to absorb the visible light. The absorption spectrum calculations confirm that both Boron and Carbon-doped BaTiO3 have a favorable performance in the absorption of visible light. However, Nitrogen-doped BaTiO3 doesn’t present the improvement. BaTiO3 doped with Boron or Carbon is expected to be a new class of perovskite materials for the field of solar energy. |
| first_indexed | 2024-12-21T04:30:44Z |
| format | Article |
| id | doaj.art-1e50e9b5b0ce4cffb63c0f78477a8ff2 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-21T04:30:44Z |
| publishDate | 2018-09-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-1e50e9b5b0ce4cffb63c0f78477a8ff22022-12-21T19:15:56ZengAIP Publishing LLCAIP Advances2158-32262018-09-0189095216095216-910.1063/1.5047094054809ADVThe electronic structures and optical properties of B, C or N doped BaTiO3Zhuang Teng0Jiajun Jiang1Gaoyuan Chen2Chunlan Ma3Feiwu Zhang4Jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou, Jiangsu 215009, ChinaState Key Laboratory of Ore Deposit Geochemistry, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081, ChinaJiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou, Jiangsu 215009, ChinaJiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou, Jiangsu 215009, ChinaJiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou, Jiangsu 215009, ChinaThe electronic structures and optical properties of Boron, Carbon or Nitrogen doped BaTiO3 are calculated by the first-principles calculations. The doped atoms decrease the band gap of BaTiO3 significantly, which could increase the host material ability to absorb the visible light. The absorption spectrum calculations confirm that both Boron and Carbon-doped BaTiO3 have a favorable performance in the absorption of visible light. However, Nitrogen-doped BaTiO3 doesn’t present the improvement. BaTiO3 doped with Boron or Carbon is expected to be a new class of perovskite materials for the field of solar energy.http://dx.doi.org/10.1063/1.5047094 |
| spellingShingle | Zhuang Teng Jiajun Jiang Gaoyuan Chen Chunlan Ma Feiwu Zhang The electronic structures and optical properties of B, C or N doped BaTiO3 AIP Advances |
| title | The electronic structures and optical properties of B, C or N doped BaTiO3 |
| title_full | The electronic structures and optical properties of B, C or N doped BaTiO3 |
| title_fullStr | The electronic structures and optical properties of B, C or N doped BaTiO3 |
| title_full_unstemmed | The electronic structures and optical properties of B, C or N doped BaTiO3 |
| title_short | The electronic structures and optical properties of B, C or N doped BaTiO3 |
| title_sort | electronic structures and optical properties of b c or n doped batio3 |
| url | http://dx.doi.org/10.1063/1.5047094 |
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