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Research Article

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

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
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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.

Keywords

first-principlespuckered pentagonalVTe2ferromagnetic semiconductorferroelasticity

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Nano Research
Volume 15 Issue 2,
February 2022
Pages 1486-1491
DOI: 10.1007/s12274-021-3692-5
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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Received: 07 April 2021
Revised: 02 June 2021
Accepted: 16 June 2021
Published: 10 August 2021
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021
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