呼吸铁电诱导kagome卤化铌单层的拓扑谷态

IF 11.9 1区 材料科学 Q1 CHEMISTRY, PHYSICAL
Kai-Qi Wang, Jun-Ding Zheng, Wen-Yi Tong, Chun-Gang Duan
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引用次数: 0

摘要

最近,kagome晶格因其在拓扑、磁性和电子相关性方面的不同性质而引起了人们的极大关注。然而,对表现出动态呼吸行为的呼吸kagome的探索仍然相对较少。结构呼吸引入了额外的自由度,预期可以微调奇异的特征。在本研究中,我们采用k \(\cdot\) p模型和第一性原理计算相结合的方法来探索呼吸铁电如何调制卤化铌单层中的谷态。通过磁电耦合的相互作用以及呼吸和铁电之间的锁相,我们证明了呼吸过程可以实现谷极化反转并产生多个谷态,包括拓扑上的非平凡态。这些状态转换耦合到圆偏振光响应和各种谷霍尔效应。我们的研究结果表明,呼吸kagome为研究结构、电荷、自旋和谷自由度之间的相互作用提供了一个有前景的平台,是开发多功能器件的关键一步。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Breathing ferroelectricity induced topological valley states in kagome niobium halide monolayers

Breathing ferroelectricity induced topological valley states in kagome niobium halide monolayers

Recently, kagome lattices have garnered significant attention for their diverse properties in topology, magnetism, and electron correlations. However, the exploration of breathing kagome, which exhibit dynamic breathing behavior, remains relatively scarce. Structural breathing introduces an additional degree of freedom that is anticipated to fine-tune the exotic characteristic. In this study, we employ a combination of the k\(\cdot\)p model and first-principles calculations to explore how breathing ferroelectricity modulate valley states within niobium halide monolayer. Through the interplay of magnetoelectric coupling and the lock-in between breathing and ferroelectric, we demonstrate that a breathing process can achieve valley polarization reversal and generate multiple valley states, including topologically nontrivial ones. These state transformations couple to circularly-polarized optical responses and various valley Hall effects. Our results suggest that breathing kagome represent promising platform for studying the interplay among structure, charge, spin and valley degrees of freedom, a crucial step toward developing multifunctional devices.

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来源期刊
npj Computational Materials
npj Computational Materials Mathematics-Modeling and Simulation
CiteScore
15.30
自引率
5.20%
发文量
229
审稿时长
6 weeks
期刊介绍: npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings. Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.
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