Photostriction Facilitates Relaxation of Lattice Distortion in Two-Dimensional Perovskites
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arXiv
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| Autori principali: | , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866915199862177792 |
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| author | Zhang, Jin Yang, Kun Yu, Jianxin Zhang, Jia Meng, Sheng Shi, Xinghua Fang, Wei-Hai |
| author_facet | Zhang, Jin Yang, Kun Yu, Jianxin Zhang, Jia Meng, Sheng Shi, Xinghua Fang, Wei-Hai |
| contents | The photostriction effect, a light-induced mechanical deformation in materials, originates from the intricate interplay between lattice structure and electronic excitation. In photovoltaic semiconductors, this effect plays a crucial role in shaping non-equilibrium structural responses, yet its fundamental mechanism remains elusive. Here, we uncover lattice expansion and structural reconfiguration in two-dimensional (2D) perovskites driven by photoinduced excitation using first-principles calculations. Our findings reveal that the photoinduced carriers lead to a substantial lattice expansion by about 2%. The expanded lattice facilitates strain relaxation with the amplitude of 20% by increasing interatomic distances and reducing internal stresses, thereby enhancing structural stability. The lattice dynamics can be systematically engineered through photodoping density, unveiling a new pathway to modulate light-matter interactions in 2D perovskites. These insights not only advance the understanding of optically driven structural dynamics but also offer a guiding principle for optimizing next-generation high-efficiency photovoltaic devices and optoelectronics. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2503_12119 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Photostriction Facilitates Relaxation of Lattice Distortion in Two-Dimensional Perovskites Zhang, Jin Yang, Kun Yu, Jianxin Zhang, Jia Meng, Sheng Shi, Xinghua Fang, Wei-Hai Materials Science Computational Physics The photostriction effect, a light-induced mechanical deformation in materials, originates from the intricate interplay between lattice structure and electronic excitation. In photovoltaic semiconductors, this effect plays a crucial role in shaping non-equilibrium structural responses, yet its fundamental mechanism remains elusive. Here, we uncover lattice expansion and structural reconfiguration in two-dimensional (2D) perovskites driven by photoinduced excitation using first-principles calculations. Our findings reveal that the photoinduced carriers lead to a substantial lattice expansion by about 2%. The expanded lattice facilitates strain relaxation with the amplitude of 20% by increasing interatomic distances and reducing internal stresses, thereby enhancing structural stability. The lattice dynamics can be systematically engineered through photodoping density, unveiling a new pathway to modulate light-matter interactions in 2D perovskites. These insights not only advance the understanding of optically driven structural dynamics but also offer a guiding principle for optimizing next-generation high-efficiency photovoltaic devices and optoelectronics. |
| title | Photostriction Facilitates Relaxation of Lattice Distortion in Two-Dimensional Perovskites |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2503.12119 |