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Monolayer puckered pentagonal VTe2: An emergent two-dimensional ferromagnetic semiconductor with multiferroic coupling

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Abstract

Two-dimensional (2D) magnetic crystals have been extensively explored thanks to their potential applications in spintronics, valleytronics, and topological superconductivity. Here we report a novel monolayer magnet, namely puckered pentagonal VTe2 (PP-VTe2), intriguing atomic and electronic structures of which were firmly validated from first-principles calculations. The PP-VTe2 exhibits strong intrinsic ferromagnetism and semiconducting property distinct from the half-metallic bulk pyrite VTe2 (BP-VTe2) phase. An unusual magnetic anisotropy with large magnetic exchange energies is found. More interestingly, the multiferroic coupling between its 2D ferroelasticity and in-plane magnetization is further identified in PP-VTe2, lending it unprecedented controllability with external strains and electric fields. Serving as an emergent 2D ferromagnetic semiconductor with a novel crystal structure, monolayer PP-VTe2 provides an ideal platform for exploring exotic crystalline and spin configurations in low-dimensional systems.

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Acknowledgements

This work was financially supported by the National Key Research and Development Program of China (Nos. 2020YFA0308800, 2016YFA0202300, and 2016YFA0300902), the National Natural Science Foundation of China (Nos. 91850120 and 11974045), and the Strategic Priority Research Program (B) of CAS (No. XDB30000000). The computing resources were provided by the Institute of Physics, Chinese Academy of Sciences and Songshan Lake Supercomputing Facilities.

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Authors and Affiliations

  1. Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing, 100190, China

    Xuanyi Li, Zhili Zhu, Qing Yang, Zexian Cao, Yeliang Wang, Sheng Meng, Jiatao Sun & Hongjun Gao

  2. School of Information and Electronics, MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices, Beijing Institute of Technology, Beijing, 100081, China

    Yeliang Wang & Jiatao Sun

  3. CAS Center for Excellence in Topological Quantum Computation, Beijing, 100049, China

    Yeliang Wang & Hongjun Gao

  4. BIT Chongqing Center for Microelectronics and Microsystems, Chongqing, 401332, China

    Jiatao Sun

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  1. Xuanyi Li
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  3. Qing Yang
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Correspondence to Sheng Meng or Jiatao Sun.

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Li, X., Zhu, Z., Yang, Q. et al. Monolayer puckered pentagonal VTe2: An emergent two-dimensional ferromagnetic semiconductor with multiferroic coupling. Nano Res. 15, 1486–1491 (2022). https://doi.org/10.1007/s12274-021-3692-5

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