在扭曲的双层NiI_{2}中引发Moiré的磁电
Haiyan Zhu1, Hongyu Yu1, Weiqin Zhu1
1Fudan University, Key Laboratory of Computational Physical Sciences (Ministry of Education), Institute of Computational Physical Sciences, State Key Laboratory of Surface Physics, and Department of Physics, Shanghai 200433, China.
Physical review letters
|November 21, 2025
概括
扭曲的磁性材料表现出由于晶格放松而具有可调节的多铁性质. 这项研究揭示了扭曲双层NiI2中的合作离子和自旋驱动铁电,这对于新型多铁器件至关重要.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 计算物理 计算物理
背景情况:
- 扭曲的范德瓦尔斯材料对多铁工程具有前景.
- 在这些材料中模拟大规模的莫雷超级格子提出了重大挑战.
研究的目的:
- 开发和应用机器学习潜力,用于模拟扭曲双层NiI2.2中的自旋格合系统.
- 调查多铁素性质的出现,包括旋转驱动的极化和铁电,作为扭曲角度和晶格放松的函数.
主要方法:
- 使用SpinGNN++框架开发一个全面的原子间机器学习潜力.
- 将潜力应用于扭曲的双层NiI2,包括结构放松.
- 整合了 Katsura-Nagaosa-Balatsky 通用机制,用于精确的旋转驱动偏振计算.
主要成果:
- 结构松会诱导层间间距和离子转移中的莫雷周期调节.
- 机器学习潜力准确地捕获磁性配置和旋转相互作用.
- 在1.89°和2.45°之间的扭转角度观察到合作的离子和自旋驱动的铁电,产生丰富的极化纹理.
- 格子放松对于产生极磁拓学,如 skyrmions,至关重要.
- 在接近60°的扭转角度,堆叠依赖的铁电位移导致极性meron-antimeron网络.
结论:
- 扭曲的双层NiI2表现出合作的离子和自旋驱动的铁电.
- 格子放松在这些系统中起到关键作用,使多铁体现象成为可能.
- 扭曲的范德瓦尔斯磁铁作为可适应的平台,用于开发可调节的多铁子装置.
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