Dynamic Structure Evolution under Invariant Lattice Framework in Fluorite-Type Ferroelectrics.

IF 9.1 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2025-10-01 DOI:10.1021/acs.nanolett.5c03512

Yunzhe Zheng,Heng Yu,Tianjiao Xin,Kan-Hao Xue,Yilin Xu,Zhaomeng Gao,Cheng Liu,Qiwendong Zhao,Yonghui Zheng,Xiangshui Miao,Yan Cheng

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Abstract

Insightful design of HfO2-based ferroelectric (FE) devices for encoding and storage necessitates a comprehensive understanding of the dynamics governing structure evolution. However, conclusive experimental evidence remains limited. Here, by in situ biasing directly on the TiN/Hf0.5Zr0.5O2/TiN FE capacitors and combining theoretical calculations, we reveal the atomic-scale domain structure evolution via a transient polar orthorhombic (O)-Pmn21-like configuration. Direct atomic evidence demonstrates that the antipolar O-Pbca phase could transform into the FE O-Pbc21 phase under electric fields, and the polar axis of the FE phase aligns toward the bias direction through a ferroelastic transformation, thereby enhancing FE polarization. As the bias increases, the polar axis collapses, leading to FE degradation. Throughout the process of domain structure evolution, the lattice framework retains its integrity without alteration. These insights into the intricate structure evolution under electrical field cycling facilitate optimization and design strategies for HfO2-based FE memory devices.

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萤石型铁电体不变晶格框架下的动态结构演化。

基于hfo2的铁电（FE）编码和存储器件的深刻设计需要对结构演化动力学的全面理解。然而，结论性的实验证据仍然有限。本文通过直接在TiN/Hf0.5Zr0.5O2/TiN FE电容器上进行原位偏置，并结合理论计算，揭示了原子尺度的畴结构通过瞬态极性正交(O)-Pmn21-like结构演变。直接原子证据表明，在电场作用下，反极性的O-Pbca相可以转变为FE O-Pbc21相，FE相的极性轴通过铁弹性转变向偏置方向对齐，从而增强了FE极化。随着偏压的增加，极轴崩溃，导致有限元退化。在整个畴结构演化过程中，晶格框架保持其完整性而不发生改变。这些对电场循环下复杂结构演变的见解有助于优化基于hfo2的FE存储器件的设计策略。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

期刊介绍： Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.