甲胺基-甲脒基混合钙钛矿的第一性原理研究

毕富珍,郑晓,任志勇

First-Principles Study of Mixed Cation Methylammonium-Formamidinium Hybrid Perovskite

Fuzhen BI,Xiao ZHENG,Chiyung YAM

图4 FA1−xMAxPbI3中不同FA : MA比例时体系的态密度分布：(a)总态密度，(b) I-5p态密度，(c) Pb-6s态密度和(d) Pb-6p态密度

Fig 4 (a) Total DOS, (b) I-5p DOS, (c) Pb-6s DOS and (d) Pb-6p DOS of FA1−xMAxPbI3 with different ratios of FA and MA cations.