| Cite this article as: Zhu Jing-Xin,Guo San-Dong. The study of ferrovalley properties for two-dimensional Janus LuClI [J]. J. At. Mol. Phys.(原子与分子物理学报), 2025, 42: 026005 (in Chinese) |
| The study of ferrovalley properties for two-dimensional Janus LuClI |
| Hits 158 Download times 248 Received:July 04, 2023 Revised:July 26, 2023 |
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| DOI
10.19855/j.1000-0364.2025.026005 |
| Key Words
ferrovalley materials piezoelectric first-principles calculations |
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| Abstract
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| Due to its inherent ferromagnetic properties, ferrovalley materials can generate spontaneous valley polarization, thus realizing the manipulation of valley degrees of freedom. The different valley polarization states provide the possibility for the application of ferrovalley materials in the field of information transmission. In this work, the dynamic, mechanical and thermal stabilities of Janus monolayer LuClI are proved by using reliable first-principles calculations. Janus monolayer LuClI is found to be a promising ferrovalley material with a valley splitting of 50.927 meV. When the direction of magnetic moment of Lu atom (out-of-plane) is reversed, the valley polarization can be reversed. The Berry curvature distributions of Janus monolayer LuClI in Brillouin zone are also calculated, and they are mainly concentrated in the -K and K valleys, which indicates that the anomalous valley Hall effect can be realized in LuClI monolayer. When the strength of electronic correlation is small, the easy magnetization axis of Janus monolayer LuClI will become in-plane, thus losing the spontaneous valley polarization. Nevertheless, the direction of magnetization can be shifted from in-plane to out-of-plane by using strain regulation, which can result in valley polarization. In addition, Janus monolayer LuClI has both in-plane and out-of-plane piezoelectric responses. The calculated in-plane piezoelectric strain coefficient d11 is larger than that of most existing two-dimensional materials, while the out-of-plane piezoelectric coefficient d31 is very small. This provides possibility to regulate valley carriers by piezoelectric effect. |
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