Photo-carrier induced composition separation in mixed-halide CsPb(I x Br1-x )3 perovskite semiconductors; first-principles calculation

被引：0
|
作者：
Tomita, Ami [1 ]
Nakayama, Takashi [1 ]
机构：
[1] Chiba Univ, Dept Phys, 1 33 Yayoi, Inage, Chiba 2638522, Japan
来源：
APPLIED PHYSICS EXPRESS | 2023年 / 16卷 / 04期
关键词：
perovskite semiconductor; mixed-halide perovskite; solar cell; composition separation; light irradiation; first-principles calculation; quantum well; SOLAR-CELLS; PERFORMANCE;
D O I：
10.35848/1882-0786/acc6b3
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The stability of mixed-halide perovskite CsPb(I x Br1-x )(3) against the composition separation is studied by the first-principles calculations in the presence of photo-generated carriers. It is shown that, in the case without carriers, the mixed phase is stable around room temperature owing to the mixing-entropy effect of halide atoms. When such a mixed phase is irradiated under the light and carriers are generated, on the other hand, the composition-separated phase becomes stable. We showed that the confinement of hole carriers in I-rich regions lowers the system energy and promotes composition separation.
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页数：5
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