تقرير
Switchable Ferroelectricity in Subnano Silicon Thin Films
| العنوان: | Switchable Ferroelectricity in Subnano Silicon Thin Films |
|---|---|
| المؤلفون: | Yu, Hongyu, deng, Shihan, Xie, Muting, Zhang, Yuwen, Shi, Xizhi, Zhong, Jianxin, He, Chaoyu, Xiang, Hongjun |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Physics - Computational Physics |
| الوصف: | Recent advancements underscore the critical need to develop ferroelectric materials compatible with silicon. We systematically explore possible ferroelectric silicon quantum films and discover a low-energy variant (hex-OR-2*2-P) with energy just 1 meV/atom above the ground state (hex-OR-2*2). Both hex-OR-2*2 and hex-OR-2*2-P are confirmed to be dynamically and mechanically stable semiconductors with indirect gaps of 1.323 eV and 1.311 eV, respectively. The ferroelectric hex-OR-2*2-P exhibits remarkable in-plane spontaneous polarization up to 120 Pc/m and is protected by a potential barrier (13.33 meV/atom) from spontaneously transitioning to hex-OR-22. To simulate the switching ferroelectricity in electric fields of the single-element silicon bilayer, we develop a method that simultaneously learns interatomic potentials and Born effective charges (BEC) in a single equivariant model with a physically informed loss. Our method demonstrates good performance on several ferroelectrics. Simulations of hex-OR-2*2-P silicon suggest a depolarization temperature of approximately 300 K and a coercive field of about 0.05 V/{\AA}. These results indicate that silicon-based ferroelectric devices are feasible, and the ground state phase of the silicon bilayer (hex-OR-2*2) is an ideal system. Our findings highlight the promise of pure silicon ferroelectric materials for future experimental synthesis and applications in memory devices, sensors, and energy converters. Comment: 18 pages, 3 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2407.01914 |
| رقم الأكسشن: | edsarx.2407.01914 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |