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The electronic structures and optical properties of B, C or N doped BaTiO3

文献类型：期刊论文

作者Teng, Zhuang1; Jiang, Jiajun2,3; Chen, Gaoyuan1; Ma, Chunlan1; Zhang, Feiwu1,2,3
刊名AIP ADVANCES
出版日期2018-09-01
卷号8期号:9页码:9
ISSN号2158-3226
DOI10.1063/1.5047094
英文摘要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. (C) 2018 Author(s).
WOS关键词AUGMENTED-WAVE METHOD ; BARIUM-TITANATE ; BAND-STRUCTURE ; 1ST-PRINCIPLES ; POLARIZATION ; CRYSTALS
资助项目National Natural Science Foundation of China[11304218] ; National Natural Science Foundation of China[11247023] ; National Natural Science Foundation of China[41773057] ; NSF of Jiangsu Higher Education Institutions[17KJA140001] ; Recruitment Program of Chinese thousand-talents scheme
WOS研究方向Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
WOS记录号WOS:000446058000066
出版者AMER INST PHYSICS
资助机构National Natural Science Foundation of China ; National Natural Science Foundation of China ; NSF of Jiangsu Higher Education Institutions ; NSF of Jiangsu Higher Education Institutions ; Recruitment Program of Chinese thousand-talents scheme ; Recruitment Program of Chinese thousand-talents scheme ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; NSF of Jiangsu Higher Education Institutions ; NSF of Jiangsu Higher Education Institutions ; Recruitment Program of Chinese thousand-talents scheme ; Recruitment Program of Chinese thousand-talents scheme ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; NSF of Jiangsu Higher Education Institutions ; NSF of Jiangsu Higher Education Institutions ; Recruitment Program of Chinese thousand-talents scheme ; Recruitment Program of Chinese thousand-talents scheme ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; NSF of Jiangsu Higher Education Institutions ; NSF of Jiangsu Higher Education Institutions ; Recruitment Program of Chinese thousand-talents scheme ; Recruitment Program of Chinese thousand-talents scheme
源URL[http://ir.iggcas.ac.cn/handle/132A11/89188]  
专题地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者Zhang, Feiwu
作者单位1.Suzhou Univ Sci & Technol, Sch Math & Phys, Jiangsu Key Lab Micro & Nano Heat Fluid Flow Tech, Suzhou 215009, Jiangsu, Peoples R China
2.Chinese Acad Sci, Inst Geochem, State Key Lab Ore Deposit Geochem, Guiyang 550081, Guizhou, Peoples R China
3.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing 100029, Peoples R China
推荐引用方式
GB/T 7714		 Teng, Zhuang,Jiang, Jiajun,Chen, Gaoyuan,et al. The electronic structures and optical properties of B, C or N doped BaTiO3[J]. AIP ADVANCES,2018,8(9):9.
APA Teng, Zhuang,Jiang, Jiajun,Chen, Gaoyuan,Ma, Chunlan,&Zhang, Feiwu.(2018).The electronic structures and optical properties of B, C or N doped BaTiO3.AIP ADVANCES,8(9),9.
MLA Teng, Zhuang,et al."The electronic structures and optical properties of B, C or N doped BaTiO3".AIP ADVANCES 8.9(2018):9.

入库方式： OAI收割

来源：地质与地球物理研究所

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