تقرير
Origin of Interstitial Doping Induced Coercive Field Reduction in Ferroelectric Hafnia
| العنوان: | Origin of Interstitial Doping Induced Coercive Field Reduction in Ferroelectric Hafnia |
|---|---|
| المؤلفون: | Zhu, Tianyuan, Ma, Liyang, Duan, Xu, Liu, Shi |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Physics - Computational Physics |
| الوصف: | Hafnia-based ferroelectrics hold promise for nonvolatile ferroelectric memory devices. However, the high coercive field required for polarization switching remains a prime obstacle to their practical applications. A notable reduction in coercive field has been achieved in ferroelectric Hf(Zr)$_{1+x}$O$_2$ films with interstitial Hf(Zr) dopants [Science 381, 558 (2023)], suggesting a less-explored strategy for coercive field optimization. Supported by density functional theory calculations, we demonstrate the $Pca2_1$ phase, with a moderate concentration of interstitial Hf dopants, serves as a minimal model to explain the experimental observations, rather than the originally assumed rhombohedral phase. Large-scale deep potential molecular dynamics simulations suggest that interstitial defects promote the polarization reversal by facilitating $Pbcn$-like mobile 180$^\circ$ domain walls. A simple pre-poling treatment could reduce the switching field to less than 1 MV/cm and enable switching on a subnanosecond timescale. High-throughput calculations reveal a negative correlation between the switching barrier and dopant size and identify a few promising interstitial dopants for coercive field reduction. |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2407.02808 |
| رقم الأكسشن: | edsarx.2407.02808 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |