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J-GLOBAL ID：201802285927869118   Reference number：18A0575663

First-principles study of electronic and optical properties of lead-free double perovskites Cs₂NaBX ₆ (B = Sb, Bi; X = Cl, Br, I)

鉛フリー二重ペロブスカイトCs_2NaBX_6(B=Sb, Bi; X=Cl, Br, I)の電子的および光学的性質の第一原理研究【Powered by NICT】

Author (6)： Zhao Shuai (School of Science, Chongqing University of Technology, Chongqing 400054, People’s Republic of China) ,  Zhao Shuai (Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka, 808-0196, Japan) ,  Yamamoto Kumiko (Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka, 808-0196, Japan) ,  Iikubo Satoshi (Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka, 808-0196, Japan) ,  Hayase Shuzi (Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka, 808-0196, Japan) ,  Ma Tingli (Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Kitakyushu, Fukuoka, 808-0196, Japan)
Material： Journal of Physics and Chemistry of Solids  (J Phys Chem Solids)
Volume： 117  Page： 117-121  Publication year： 2018 
JST Material Number： C0202A  ISSN： 0022-3697  Document type： Article
Article type： 原著論文  Country of issue： United Kingdom (GBR)  Language： ENGLISH (EN)

Abstract/Point： Organolead halide perovskite i...

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Thesaurus term： solar cell ,  halide ,  halogenation ,  bismuth ,  optoelectronics ,  *lead ,  *first principle ,  *optical property ,  thermodynamic stability ,  absorption coefficient
Semi thesaurus term： 太陽エネルギー変換 ,  第一原理計算 ,  *ダブルペロブスカイト ,  *鉛フリー , 【Automatic Indexing@JST】

Author keywords (3)： Lead-free perovskites ,  Electronic structure ,  Density functional theory

JST classification (5)： Ferroelectrics,antiferroelectrics and ferroelasticity  (BM05030B) ,  Manufacturing of ceramics and ceramic whiteware  (YC03020V) ,  Crystal structure of metal oxides and chalcogenides  (BK07020Y) ,  Crystal structure of other inorganic compounds  (BK07030J) ,  Optical properties of condensed matter in general  (BM08010A)

Terms in the title (8)： 鉛フリー ,  二重ペロブスカイト ,  Bi ,  Br ,  電子 ,  光学的性質 ,  第一原理 ,  研究