Photostriction-tunable Polarization and Structural Dynamics in Interlayer Sliding Ferroelectrics

Fuente: arXiv
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Autores principales: Yang, Kun, Yu, Jianxin, Zhang, Jia, Meng, Sheng, Zhang, Jin
Formato: Preprint
Publicado: 2025
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author Yang, Kun
Yu, Jianxin
Zhang, Jia
Meng, Sheng
Zhang, Jin
author_facet Yang, Kun
Yu, Jianxin
Zhang, Jia
Meng, Sheng
Zhang, Jin
contents Two-dimensional ferroelectrics with robust polarization offer promising opportunities for non-volatile memory, field-effect transistors, and optoelectronic devices. However, the impact of lattice deformation on polarization and photoinduced structural response remains poorly understood. Here, we employ first-principles calculations to demonstrate photodoping-induced lattice expansion in rhombohedrally stacked bilayer MoS2, revealing a strong coupling between photodoping carrier and lattice structure. We identify a pronounced photostrictive response in sliding ferroelectrics, wherein electron-hole excitation leads to substantial in-plane expansion, increased interlayer spacing, and enhanced ferroelectric polarization. This strain-induced modulation drives significant bandgap renormalization. The photostriction-tunable polarization and structural dynamics arise from the strong electromechanical coupling inherent to the non-centrosymmetric rhombohedral stacking. The findings provide critical insights into the nonthermal lattice expansion governing sliding ferroelectrics at atomic-scale timescales, while simultaneously laying the groundwork for next-generation electronic and memory technologies by leveraging lattice-tunable polarization switching.
format Preprint
id arxiv_https___arxiv_org_abs_2505_24186
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Photostriction-tunable Polarization and Structural Dynamics in Interlayer Sliding Ferroelectrics
Yang, Kun
Yu, Jianxin
Zhang, Jia
Meng, Sheng
Zhang, Jin
Materials Science
Computational Physics
Two-dimensional ferroelectrics with robust polarization offer promising opportunities for non-volatile memory, field-effect transistors, and optoelectronic devices. However, the impact of lattice deformation on polarization and photoinduced structural response remains poorly understood. Here, we employ first-principles calculations to demonstrate photodoping-induced lattice expansion in rhombohedrally stacked bilayer MoS2, revealing a strong coupling between photodoping carrier and lattice structure. We identify a pronounced photostrictive response in sliding ferroelectrics, wherein electron-hole excitation leads to substantial in-plane expansion, increased interlayer spacing, and enhanced ferroelectric polarization. This strain-induced modulation drives significant bandgap renormalization. The photostriction-tunable polarization and structural dynamics arise from the strong electromechanical coupling inherent to the non-centrosymmetric rhombohedral stacking. The findings provide critical insights into the nonthermal lattice expansion governing sliding ferroelectrics at atomic-scale timescales, while simultaneously laying the groundwork for next-generation electronic and memory technologies by leveraging lattice-tunable polarization switching.
title Photostriction-tunable Polarization and Structural Dynamics in Interlayer Sliding Ferroelectrics
topic Materials Science
Computational Physics
url https://arxiv.org/abs/2505.24186