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The electronic structures and optical properties of B, C or N doped BaTiO3
Teng, Zhuang1; Jiang, Jiajun2,3; Chen, Gaoyuan1; Ma, Chunlan1; Zhang, Feiwu1,2,3
2018-09-01
发表期刊AIP ADVANCES
ISSN2158-3226
卷号8期号:9页码:9
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).
DOI10.1063/1.5047094
资助者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
关键词[WOS]AUGMENTED-WAVE METHOD ; BARIUM-TITANATE ; BAND-STRUCTURE ; 1ST-PRINCIPLES ; POLARIZATION ; CRYSTALS
语种英语
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
资助者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
WOS研究方向Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号WOS:000446058000066
出版者AMER INST PHYSICS
引用统计
文献类型期刊论文
条目标识符http://ir.iggcas.ac.cn/handle/132A11/89188
专题地球与行星物理院重点实验室
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
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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.
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