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

作　　者：Tao Xu Jingtong Zhang Chunyu Wang Xiaoyuan Wang Takahiro Shimada Jie Wang Hongxin Yang 

机构地区：[1]Ningbo Institute of Materials Technology and Engineering,Chinese Academy of Sciences,Ningbo,315201,China [2]Department of Mechanical Engineering and Science,Kyoto University,Nishikyo-ku,Kyoto,615-8540,Japan [3]Department of Engineering Mechanics,School of Aeronautics and Astronautics Zhejiang University,Hangzhou,310027,China [4]Zhejiang Laboratory,Hangzhou,311100,Zhejiang,China [5]Key Laboratory of Pressure Systems and Safety Ministry of Education,East China University of Science and Technology,Shanghai,200237,China

出　　处：《Journal of Materiomics》2023年第5期892-898,共7页无机材料学学报（英文）

基　　金：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).

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 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 dopinginduced metallic multiferroics in an atomicWOF4 wire.TheWOF4 atomic wire that can be derived from a 1D van derWaals 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 roomtemperature 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.

关 键 词：1D materials FERROELECTRICS Metallic multiferroics First-principles calculations Electron doping 

分 类 号：TG1[金属学及工艺—金属学]