Multiscale Coupled Polarization and BKT Transitions in Tow-Dimensional Hybrid Organic-Inorganic Perovskites
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arXiv
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| Format: | Preprint |
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2025
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| author | Wu, Weijie Li, Zehua Wang, Yu |
| author_facet | Wu, Weijie Li, Zehua Wang, Yu |
| contents | We present an extended two-dimensional XY rotor model specifically designed to capture the polarization dynamics of hybrid organic-inorganic perovskite monolayers. This framework integrates nearest and next-nearest neighbor couplings, crystalline anisotropy inherent to perovskite lattice symmetries, external bias fields, and long-range dipolar interactions that are prominent in layered perovskite architectures. Through a combination of analytical coarse-graining and large-scale Monte Carlo simulations on 64*64 lattices, we identify two distinct thermodynamic regimes: a low-temperature quasi-ferroelectric state characterized by finite polarization and domain wall formation, and a higher-temperature Berezinskii-Kosterlitz-Thouless (BKT) crossover associated with vortex-antivortex unbinding and the suppression of long-range order. Our results reproduce key experimental signatures observed in quasi-two-dimensional perovskites, including dual peaks in dielectric susceptibility, enhanced vortex density near the transition, multistable polarization hysteresis under applied fields, and the scaling behavior of domain wall widths. This minimal yet realistic model provides a unifying perspective on how topological transitions and ferroelectric ordering coexist in layered perovskite systems, offering quantitative guidance for interpreting the emergent polar vortex lattices and complex phase behavior recently reported in hybrid perovskite thin films. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2508_03285 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Multiscale Coupled Polarization and BKT Transitions in Tow-Dimensional Hybrid Organic-Inorganic Perovskites Wu, Weijie Li, Zehua Wang, Yu Materials Science We present an extended two-dimensional XY rotor model specifically designed to capture the polarization dynamics of hybrid organic-inorganic perovskite monolayers. This framework integrates nearest and next-nearest neighbor couplings, crystalline anisotropy inherent to perovskite lattice symmetries, external bias fields, and long-range dipolar interactions that are prominent in layered perovskite architectures. Through a combination of analytical coarse-graining and large-scale Monte Carlo simulations on 64*64 lattices, we identify two distinct thermodynamic regimes: a low-temperature quasi-ferroelectric state characterized by finite polarization and domain wall formation, and a higher-temperature Berezinskii-Kosterlitz-Thouless (BKT) crossover associated with vortex-antivortex unbinding and the suppression of long-range order. Our results reproduce key experimental signatures observed in quasi-two-dimensional perovskites, including dual peaks in dielectric susceptibility, enhanced vortex density near the transition, multistable polarization hysteresis under applied fields, and the scaling behavior of domain wall widths. This minimal yet realistic model provides a unifying perspective on how topological transitions and ferroelectric ordering coexist in layered perovskite systems, offering quantitative guidance for interpreting the emergent polar vortex lattices and complex phase behavior recently reported in hybrid perovskite thin films. |
| title | Multiscale Coupled Polarization and BKT Transitions in Tow-Dimensional Hybrid Organic-Inorganic Perovskites |
| topic | Materials Science |
| url | https://arxiv.org/abs/2508.03285 |