文献类型：期刊文献

英文题名：Intrinsic ferroelectrics and carrier doping-induced metallic multiferroics in an atomic wire

作者：Xu, Tao[1,2];Zhang, Jingtong[3,4];Wang, Chunyu[5];Wang, Xiaoyuan[5];Shimada, Takahiro[2];Wang, Jie[3,4];Yang, Hongxin[1]

机构：[1]Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Peoples R China;[2]Kyoto Univ, Dept Mech Engn & Sci, Nishikyo Ku, Kyoto 6158540, Japan;[3]Zhejiang Univ, Sch Aeronaut & Astronaut, Dept Engn Mech, Hangzhou 310027, Peoples R China;[4]Zhejiang Lab, Hangzhou 311100, Zhejiang, Peoples R China;[5]East China Univ Sci & Technol, Key Lab Pressure Syst & Safety, Minist Educ, Shanghai 200237, Peoples R China

年份：2023

卷号：9

期号：5

起止页码：892

外文期刊名：JOURNAL OF MATERIOMICS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:001097768400001)】；

基金：The work is supported by the National Natural Science Foundation of China (Grant Nos. 12172370, 11874059 and 12174405), Natural Science Foundation of Zhejiang Provincial (Grant Nos.LY22E020012 and LR19A040002), National Key R&D Program of China (Grant No.2022YFB3807601),the Key Research Project of Zhejiang Laboratory (Grant No. 2021PE0AC02), Zhejiang Laboratory Open Research Project (Grant No. K2022PE0AB06) and JSPS International Research Fellow (No. P22065).

语种：英文

外文关键词：1D materials; Ferroelectrics; Metallic multiferroics; First-principles calculations; Electron doping

摘要：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 multi-functional 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.(c) 2023 The Authors. Published by Elsevier B.V. on behalf of The Chinese Ceramic Society. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).