Enhancing valley splitting and anomalous valley Hall effect in the V-doped Janus MoSeTe monolayer†

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL Physical Chemistry Chemical Physics Pub Date : 2025-01-07 DOI:10.1039/D4CP04412F
Shulai Lei, Jiayao Wang, Rongli Zhao, Jinbo Sun, Shujuan Li, Xinyue Xiong, Yin Wang and Ke Xu
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Abstract

Exploring valleytronics in two-dimensional materials is of great significance for the development of advanced information devices. In this study, we investigate the valley polarization and electronic properties of V-doped 2H-phase Janus MoSeTe by using first-principles calculations. Our results reveal a remarkable valley spin splitting up to 60 meV, driven by the breaking of time-reversal symmetry due to the magnetic effect of V 3d orbitals. Additionally, we observe the anomalous valley Hall effect (AVHE) in the V-doped 2H-phase Janus MoSeTe monolayer, showcasing its potential for valleytronic applications. Importantly, we found that the valley polarization can be effectively modulated by applying external strain, with notable changes at different strain levels. These findings suggest that the V-doped 2H-phase Janus MoSeTe monolayer is an ideal material to design tunable, controllable valleytronic devices, offering new opportunities for the next generation of valley-based technologies.

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v掺杂Janus MoSeTe单层中增强谷分裂和反常谷霍尔效应
探索二维材料中的谷电子学对于先进信息器件的发展具有重要意义。在本研究中,我们利用第一性原理计算研究了v掺杂2h相Janus MoSeTe的谷极化和电子特性。我们的研究结果揭示了一个显著的谷自旋分裂高达60 meV,这是由于v3d轨道的磁效应导致时间反转对称性的破坏所驱动的。此外,我们在v掺杂的2-H相Janus MoSeTe单层中观察到异常谷霍尔效应(AVHE),展示了其谷电子应用的潜力。重要的是,我们发现谷偏振可以通过施加外部应变来有效调制,并且在不同应变水平下变化显著。这些发现表明,单层v掺杂2h相Janus MoSeTe是设计可调谐、可控谷电子器件的理想材料,为下一代谷基技术提供了新的机会。
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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