碘化物
材料科学
钙钛矿(结构)
电荷(物理)
电导率
锡
化学物理
化学工程
无机化学
化学
结晶学
冶金
物理化学
物理
工程类
量子力学
作者
Yukari Takahashi,R. Obara,Zhengzhong Lin,Yukihiro Takahashi,T. Naito,Tamotsu Inabe,Shoji Ishibashi,Kiyoyuki Terakura
出处
期刊:Dalton Transactions
[Royal Society of Chemistry]
日期:2011-01-01
卷期号:40 (20): 5563-5563
被引量:410
摘要
The structural and electrical properties of a metal-halide cubic perovskite, CH(3)NH(3)SnI(3), have been examined. The band structure, obtained using first-principles calculation, reveals a well-defined band gap at the Fermi level. However, the temperature dependence of the single-crystal electrical conductivity shows metallic behavior down to low temperatures. The temperature dependence of the thermoelectric power is also metallic over the whole temperature range, and the large positive value indicates that charge transport occurs with a low concentration of hole carriers. The metallic properties of this as-grown crystal are thus suggested to result from spontaneous hole-doping in the crystallization process, rather than the semi-metal electronic structure. The present study shows that artificial hole doping indeed enhances the conductivity.
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