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Nano Research 2022, 15(2): 1486-1491 https://doi.org/10.1007/s12274-021-3692-5
Research Article | Issue | Published: 10 August 2021

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

Show Author's Information Xuanyi Li1,  Zhili Zhu1,  Qing Yang1,  Zexian Cao1,  Yeliang Wang2,1,3,  Sheng Meng1( ),  Jiatao Sun2,1,4( ),  Hong-Jun Gao1,3
Institute of Physics and University of Chinese Academy of Sciences Chinese Academy of SciencessBeijing 100190 China
School of Information and Electronics MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices Beijing Institute of TechnologyBeijing 100081 China
CAS Center for Excellence in Topological Quantum ComputationBeijing 100049 China
BIT Chongqing Center for Microelectronics and MicrosystemsChongqing 401332 China
Keywords:
first-principles, ferroelasticity, puckered pentagonal, VTe2, ferromagnetic semiconductor
Topics:
Spintronics
Cite this article:
Li X, Zhu Z, Yang Q, et al. Monolayer puckered pentagonal VTe2: An emergent two- dimensional ferromagnetic semiconductor with multiferroic coupling. Nano Research, 2022, 15(2): 1486-1491. https://doi.org/10.1007/s12274-021-3692-5
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Abstract Full text Electronic supplementary material About this article

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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Electronic supplementary material
About this article

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

Show Author's information Xuanyi Li1, Zhili Zhu1, Qing Yang1, Zexian Cao1, Yeliang Wang2,1,3, Sheng Meng1( ), Jiatao Sun2,1,4( ), Hong-Jun Gao1,3
Institute of Physics and University of Chinese Academy of Sciences Chinese Academy of SciencessBeijing 100190 China
School of Information and Electronics MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices Beijing Institute of TechnologyBeijing 100081 China
CAS Center for Excellence in Topological Quantum ComputationBeijing 100049 China
BIT Chongqing Center for Microelectronics and MicrosystemsChongqing 401332 China

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.

Keywords: first-principles, ferroelasticity, puckered pentagonal, VTe2, ferromagnetic semiconductor

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Publication history
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Acknowledgements

Publication history

Received: 07 April 2021
Revised: 02 June 2021
Accepted: 16 June 2021
Published: 10 August 2021
Issue date: February 2022

Copyright

© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021

Acknowledgements

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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