铁电 (Hf,Zr) O_{2}中的非传统的极化切换机制及其影响
Yao Wu1, Yuke Zhang1, Jie Jiang1
1Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Materials Science and Engineering, Xiangtan University, Xiangtan, Hunan 411105, China.
Physical review letters
|December 15, 2023
概括
研究人员在基于氧化 (HfO2) 的铁电器中发现了一种新的,更有利的极化切换路径. 这一发现表明自发两极分化和反向域增长显著增加,这对于先进的铁电设备至关重要.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 固态化学 固态化学
背景情况:
- 基于氧化 (HfO2) 的铁电薄膜是现代电子设备的关键组件.
- 了解极化大小和切换机制对于优化铁电器件性能至关重要.
研究的目的:
- 用先进的计算方法预测 (Hf,Zr) O2铁电中的偏振切换路径和机制.
- 为了确定自发偏振幅度和对铁电装置应用的含义.
主要方法:
- 采用了通用的固态变量细胞推推弹性带方法.
- 在基于HfO2的材料中分析了域壁运动和极化逆转路径.
主要成果:
- 确定了一个能量有利的极化逆转路径,涉及三重协调的O原子穿越单元细胞边界.
- 预测自发偏振大小约为70μC/cm2,比以前接受的值高出近50%.
- 表示在应用电场下铁电领域的结构增长逆转.
结论:
- 这项研究揭示了对基于HfO2的材料中铁电的新理解.
- 结果表明修订了极化方向和显著增强的极化大小.
- 结果对未来铁电器件的设计和性能具有重要意义.
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