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.

引用

页数：5

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