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Research Article | Open Access

Intrinsic ferroelectrics and carrier doping-induced metallic multiferroics in an atomic wire

Tao Xua,b,1, Jingtong Zhangc,d,1, Chunyu Wange, Xiaoyuan Wange, Takahiro Shimadab, Jie Wangc,d,( ), Hongxin Yanga,( )
Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, 315201, China
Department of Mechanical Engineering and Science, Kyoto University, Nishikyo-ku, Kyoto, 615-8540, Japan
Department of Engineering Mechanics, School of Aeronautics and Astronautics Zhejiang University, Hangzhou, 310027, China
Zhejiang Laboratory, Hangzhou, 311100, Zhejiang, China
Key Laboratory of Pressure Systems and Safety Ministry of Education, East China University of Science and Technology, Shanghai, 200237, China

1 T.X. and J.T.Z. contributed equally to this work.

Peer review under responsibility of The Chinese Ceramic Society.

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Graphical Abstract

Abstract

Low-dimensional multiferroic metals characterized by the simultaneous coexistence of ferroelectricity, conductivity, and magnetism hold tremendous potential for scientific and technological endeavors. However, the mutually exclusive mechanisms among these properties impede the discovery of multifunctional conducting multiferroics, especially at the atomic-scale. Here, based on first-principles calculations, we design and demonstrate intrinsic one-dimensional (1D) ferroelectrics and carrier doping-induced metallic multiferroics in an atomic WOF4 wire. The WOF4 atomic wire that can be derived from a 1D van der Waals crystal exhibits pronounced ferroelectricity manifested in the form of large cooperative atomic displacements. By performing Monte Carlo simulations with an effective Hamiltonian method, we obtain the nanowire that can sustain a high Curie temperature, indicating its potential for room-temperature applications. Moreover, doping with electrons is found to induce magnetism and metallic conductivity that coexists with the ferroelectric distortion in the nanowire. These appealing properties in conjunction with the experimental feasibility enable the doped WOF4 nanowire to act as a promising atomic-scale multifunctional material.

Keywords

First-principles calculationsFerroelectricsElectron doping1D materialsMetallic multiferroics

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Journal of Materiomics
Volume 9 Issue 5,
September 2023
Pages 892-898
DOI: 10.1016/j.jmat.2023.02.012
Cite this article:
Xu T, Zhang J, Wang C, et al. Intrinsic ferroelectrics and carrier doping-induced metallic multiferroics in an atomic wire. Journal of Materiomics, 2023, 9(5): 892-898. https://doi.org/10.1016/j.jmat.2023.02.012

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Received: 05 January 2023
Revised: 31 January 2023
Accepted: 14 February 2023
Published: 21 March 2023
© 2023 The Authors.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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