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Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite

Rui Gao, Hairui Liu, Ji'en Yang, Feng Yang, Tianxing Wang, Congxin Xia, Zhuxia Zhang, Xuguang Liu, Husheng Jia, Bingshe Xu, Sagar Jain

Solar Energy, Volume: 217, Pages: 165 - 172

Swansea University Author: Sagar Jain

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DOI (Published version): 10.1016/j.solener.2021.01.053

Abstract

The engineering of optoelectronic anisotropy brings the possibilities of designing anisotropic optoelectronic devices, such as polarized photodetectors. Here the electronic and optical properties of CsPbXnY3-n (X, Y = Cl, Br, I) perovskites were investigated by using first-principle calculations. Th...

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Published in: Solar Energy
ISSN: 0038-092X
Published: Elsevier BV 2021
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URI: https://cronfa.swan.ac.uk/Record/cronfa56353
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first_indexed 2021-03-02T09:16:17Z
last_indexed 2021-03-27T04:28:47Z
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spelling 2021-03-26T13:58:42.5932613 v2 56353 2021-03-02 Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite 7073e179bb5b82db3e3efd3a8cd07139 Sagar Jain Sagar Jain true false 2021-03-02 EEN The engineering of optoelectronic anisotropy brings the possibilities of designing anisotropic optoelectronic devices, such as polarized photodetectors. Here the electronic and optical properties of CsPbXnY3-n (X, Y = Cl, Br, I) perovskites were investigated by using first-principle calculations. The results show that the electronic band gap shows a large tunable range (1.314 ~ 2.179 eV), covering visible light region well. Meanwhile, band alignment and carrier effective mass can be effective tuned by alloying with different halogen elements (Cl, Br, I). Interestingly, the obvious optical anisotropy was found in the CsPbXnY3-n, and is most remarkable in CsPbI2Cl and CsPbCl2I. Furthermore, applying in-plane compressive strain can enhance obviously not only the linear dichroism but also the optical absorption coefficients. These results may be useful for the design of polarized optoelectronic devices by using the CsPbXnY3-n perovskite alloys. Journal Article Solar Energy 217 165 172 Elsevier BV 0038-092X Density functional theory, Inorganic perovskite, Electronic structure, Optical anisotropy, Photovoltaics application 15 3 2021 2021-03-15 10.1016/j.solener.2021.01.053 COLLEGE NANME Engineering COLLEGE CODE EEN Swansea University 2021-03-26T13:58:42.5932613 2021-03-02T09:15:07.7865517 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised Rui Gao 1 Hairui Liu 2 Ji'en Yang 3 Feng Yang 4 Tianxing Wang 5 Congxin Xia 6 Zhuxia Zhang 7 Xuguang Liu 8 Husheng Jia 9 Bingshe Xu 10 Sagar Jain 11
title Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite
spellingShingle Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite
Sagar Jain
title_short Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite
title_full Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite
title_fullStr Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite
title_full_unstemmed Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite
title_sort Tunable electronic properties and large optical anisotropy in the CsPbXnY3-n (X, Y = Cl, Br, I) perovskite
author_id_str_mv 7073e179bb5b82db3e3efd3a8cd07139
author_id_fullname_str_mv 7073e179bb5b82db3e3efd3a8cd07139_***_Sagar Jain
author Sagar Jain
author2 Rui Gao
Hairui Liu
Ji'en Yang
Feng Yang
Tianxing Wang
Congxin Xia
Zhuxia Zhang
Xuguang Liu
Husheng Jia
Bingshe Xu
Sagar Jain
format Journal article
container_title Solar Energy
container_volume 217
container_start_page 165
publishDate 2021
institution Swansea University
issn 0038-092X
doi_str_mv 10.1016/j.solener.2021.01.053
publisher Elsevier BV
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Uncategorised{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Uncategorised
document_store_str 0
active_str 0
description The engineering of optoelectronic anisotropy brings the possibilities of designing anisotropic optoelectronic devices, such as polarized photodetectors. Here the electronic and optical properties of CsPbXnY3-n (X, Y = Cl, Br, I) perovskites were investigated by using first-principle calculations. The results show that the electronic band gap shows a large tunable range (1.314 ~ 2.179 eV), covering visible light region well. Meanwhile, band alignment and carrier effective mass can be effective tuned by alloying with different halogen elements (Cl, Br, I). Interestingly, the obvious optical anisotropy was found in the CsPbXnY3-n, and is most remarkable in CsPbI2Cl and CsPbCl2I. Furthermore, applying in-plane compressive strain can enhance obviously not only the linear dichroism but also the optical absorption coefficients. These results may be useful for the design of polarized optoelectronic devices by using the CsPbXnY3-n perovskite alloys.
published_date 2021-03-15T04:11:15Z
_version_ 1763753774590984192
score 11.000909

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