IGGCAS OpenIR  > 地球与行星物理院重点实验室
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
Source PublicationAIP ADVANCES
ISSN2158-3226
Volume8Issue:9Pages:9
AbstractThe 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
Funding OrganizationNational 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 KeywordAUGMENTED-WAVE METHOD ; BARIUM-TITANATE ; BAND-STRUCTURE ; 1ST-PRINCIPLES ; POLARIZATION ; CRYSTALS
Language英语
Funding ProjectNational 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
Funding OrganizationNational 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 Research AreaScience & Technology - Other Topics ; Materials Science ; Physics
WOS SubjectNanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS IDWOS:000446058000066
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iggcas.ac.cn/handle/132A11/89188
Collection地球与行星物理院重点实验室
Corresponding AuthorZhang, Feiwu
Affiliation1.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
Recommended Citation
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.
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