低势垒铁电的理论设计

IF 27 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Wiley Interdisciplinary Reviews: Computational Molecular Science Pub Date : 2023-07-26 DOI:10.1002/wcms.1682
Ting-Ting Zhong, Yaxin Gao, Yangyang Ren, Menghao Wu
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引用次数: 0

摘要

具有电可切换自发极化的铁电体可用于信息存储,其中低开关势垒有利于降低能量成本和提高数据写入速度。同时,应确保其在工作温度下的稳健性,这对低势垒铁电体的设计是一个挑战。在这里,我们回顾了先前研究中理论上提出的几种类型的铁电机制,它们可以提供低开关势垒和室温鲁棒性。(1) 具有超低开关势垒的滑动铁电性的预测已在一系列范德华层中得到实验证实,这可以方便地对2D材料的各种物理性质进行电气控制,如磁性、光伏、valleytronic和拓扑性质。(2) 由头尾链自发形成的氢键铁电性可以通过穿过低势垒的质子转移来切换,并提出了利用氢键的特殊特性的超高压电机制。(3) 类共价离子键诱导的高离子性铁电性在切换过程中可能会产生高极化和低势垒,这归因于长程库仑相互作用的特征,并且即使在非铁电点群的晶体中,长离子位移也可能产生具有量子化极化的非常规铁电性。这些低势垒铁电机制可能带来新的物理和技术进步,有待进一步探索。本文分类如下:
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Theoretical designs of low-barrier ferroelectricity

Ferroelectrics with electrically switchable spontaneous polarizations can be used for information storage, where a low switching barrier is favorable to reduce the energy cost and enhance the speed for data writing. Meanwhile their robustness at working temperature should be ensured, which is a challenge for the designs of low-barrier ferroelectrics. Here we review several types of ferroelectric mechanisms that may render both low switching barriers and room-temperature robustness, which have been theoretically proposed in previous studies. (1) The prediction of sliding ferroelectricity with ultralow switching barriers has been experimentally confirmed in a series of van der Waals layers, which may enable convenient electrical control of various physical properties in 2D materials, like magnetic, photovoltaic, valleytronic and topological properties. (2) Hydrogen-bonded ferroelectricity spontaneously formed by head-to-tail chains can be switched by proton-transfer crossing a low barrier, and a mechanism of ultra-high piezoelectricity utilizing the specific features of hydrogen bonding has been proposed. (3) High-ionicity ferroelectricity induced by covalent-like ionic bondings may entail high polarizations and low barriers during switching, which is attributed to the features of long-range Coulomb interaction, and the long ion-displacements crossing unitcell may give rise to unconventional ferroelectricity with quantized polarizations even in crystals of non-ferroelectric point groups. Those low-barrier ferroelectric mechanisms may bring in both new physics and technological advances, which are to be further explored.

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来源期刊
Wiley Interdisciplinary Reviews: Computational Molecular Science
Wiley Interdisciplinary Reviews: Computational Molecular Science CHEMISTRY, MULTIDISCIPLINARY-MATHEMATICAL & COMPUTATIONAL BIOLOGY
CiteScore
28.90
自引率
1.80%
发文量
52
审稿时长
6-12 weeks
期刊介绍: Computational molecular sciences harness the power of rigorous chemical and physical theories, employing computer-based modeling, specialized hardware, software development, algorithm design, and database management to explore and illuminate every facet of molecular sciences. These interdisciplinary approaches form a bridge between chemistry, biology, and materials sciences, establishing connections with adjacent application-driven fields in both chemistry and biology. WIREs Computational Molecular Science stands as a platform to comprehensively review and spotlight research from these dynamic and interconnected fields.
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