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Two-dimensional kagome semiconductor Sc6S5X6 (X = Cl, Br, I) with trilayer kagome lattice |
| Jin-Ling Yan(闫金铃)1,†, Xing-Yu Wang(王星雨)1,2,†, Gen-Ping Wu(吴根平)3, Hao Wang(王浩)3, Ya-Jiao Ke(柯亚娇)1,‡, Jiafu Wang(王嘉赋)1, Zhi-Hong Liu(刘志宏)3,§, and Jun-Hui Yuan(袁俊辉)1,¶ |
1 School of Physics and Mechanics, Wuhan University of Technology, Wuhan 430070, China;
2 School of Materials and Microelectronics, Wuhan University of Technology, Wuhan 430070, China;
3 Wuhan Second Ship Design and Research Institute, Wuhan 430205, China |
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Abstract Two-dimensional (2D) multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects. However, their development is hindered by the scarcity of available material systems, making the identification of novel 2D multilayer kagome candidates particularly important. In this work, three types of 2D materials with trilayer kagome lattices, namely Sc$_{6}$S$_{5}X_{6}$ ($X = {\rm Cl}$, Br, I), are predicted based on first-principles calculations. These 2D materials feature two kagome lattices composed of Sc atoms and one kagome lattice composed of S atoms. Stability analysis indicates that these materials can exist as free-standing 2D materials. Electronic structure calculations reveal that Sc$_{6}$S$_{5}X_{6}$ are narrow-bandgap semiconductors (0.76-0.95 eV), with their band structures exhibiting flat bands contributed by Sc-based kagome lattices and Dirac band gaps resulting from symmetry breaking. The sulfur-based kagome lattice in the central layer contributes an independent flat band below the Fermi level. Additionally, Sc$_{6}$S$_{5}X_{6}$ exhibit high carrier mobility, with hole and electron mobilities reaching up to 10$^{3}$ cm$^{2}\cdot$V$^{-1}\cdot$s$^{-1}$, indicating potential applications in low-dimensional electronic devices. This work provides an excellent example for the development of novel multilayer 2D kagome materials.
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Received: 05 August 2025
Revised: 28 August 2025
Accepted manuscript online: 29 August 2025
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PACS:
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71.18.+y
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(Fermi surface: calculations and measurements; effective mass, g factor)
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71.20.-b
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(Electron density of states and band structure of crystalline solids)
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| Fund: This project was supported by the Fundamental Research Funds for the Central Universities (WUT: 2024IVA052 and Grant No. 104972025KFYjc0089). |
Corresponding Authors:
Ya-Jiao Ke, Zhi-Hong Liu, Jun-Hui Yuan
E-mail: keyajiao@whut.edu.cn;54181880@qq.com;yuanjh90@163.com
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Cite this article:
Jin-Ling Yan(闫金铃), Xing-Yu Wang(王星雨), Gen-Ping Wu(吴根平), Hao Wang(王浩), Ya-Jiao Ke(柯亚娇), Jiafu Wang(王嘉赋), Zhi-Hong Liu(刘志宏), and Jun-Hui Yuan(袁俊辉) Two-dimensional kagome semiconductor Sc6S5X6 (X = Cl, Br, I) with trilayer kagome lattice 2026 Chin. Phys. B 35 027102
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