Structural and Electronic Properties of Inorganic Mixed Halide Perovskites

doi:10.1002/pssr.201800193

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	Structural and Electronic Properties of Inorganic Mixed Halide Perovskites
	Chen, X. J.; Han, D.; Su, Y.; Zeng, Q. H.; Liu, L.; Shen, D. Z.
	2018
发表期刊	Physica Status Solidi-Rapid Research Letters
ISSN	1862-6254
卷号	12 期号:8 页码:6
摘要	In this work, we investigate the structural and electronic variations of all-inorganic mixed halide perovskites CsPb(Cl1-xBrx)(3) and CsPb(Br1-xIx)(3) upon their halide composition, by the first-principles calculation with the spin-orbit interaction. We find that these perovskites always keep their direct-bandgap nature, even though structurally their PbX6 octahedra are more or less distorted with different halide ratios (Cl/Br or Br/I). Their optical bowing parameters show no dependence on such composition ratios, which means their bandgaps can be linearly tuned. Moreover, these perovskites also exhibit rather good bipolar transport character, as both electrons and holes have the effective masses of less than 0.2m(0). Therefore, we propose that by properly tuning the halide composition ratio, these mixed halide perovskites can be fabricated into light-emitting devices with selected frequency in a broad frequency range.
关键词	band structure density functional theory inorganic mixed halide perovskites optical bowing parameter cesium lead halide light-emitting-diodes total-energy calculations effective masses anion-exchange nanocrystals efficiency cspbx3 photoluminescence semiconductor Materials Science Physics
DOI	10.1002/pssr.201800193
收录类别	SCI ; EI
引用统计
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/61161
专题	中国科学院长春光学精密机械与物理研究所
推荐引用方式 GB/T 7714	Chen, X. J.,Han, D.,Su, Y.,et al. Structural and Electronic Properties of Inorganic Mixed Halide Perovskites[J]. Physica Status Solidi-Rapid Research Letters,2018,12(8):6.
APA	Chen, X. J.,Han, D.,Su, Y.,Zeng, Q. H.,Liu, L.,&Shen, D. Z..(2018).Structural and Electronic Properties of Inorganic Mixed Halide Perovskites.Physica Status Solidi-Rapid Research Letters,12(8),6.
MLA	Chen, X. J.,et al."Structural and Electronic Properties of Inorganic Mixed Halide Perovskites".Physica Status Solidi-Rapid Research Letters 12.8(2018):6.

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