Structural and Electronic Properties of Inorganic Mixed Halide Perovskites
文献类型：期刊论文
| 作者 | Chen, X. J.; Han, D. ; Su, Y.; Zeng, Q. H.; Liu, L.; Shen, D. Z.
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| 刊名 | Physica Status Solidi-Rapid Research Letters
 |
| 出版日期 | 2018 |
| 卷号 | 12期号:8页码:6 |
| 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 |
| ISSN号 | 1862-6254 |
| DOI | 10.1002/pssr.201800193 |
| 英文摘要 | 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. |
| 源URL | [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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