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作 者:Tao Zhang Hao Guo Jiao Shen Ying Liang Haidong Fan Wentao Jiang Qingyuan Wang Xiaobao Tian
机构地区:[1]Department of Mechanics,Sichuan University,Chengdu,610065 Sichuan,PR China [2]Department of Materials Science and Engineering,City University of Hong Kong,Kowloon Tong,Hong Kong,SAR,999077,PR China [3]School of Urban Construction,Hebei Normal University of Science&Technology,Qinhuangdao,066004,PR China [4]MOE Key Laboratory of Deep Earth Science and Engineering,College of Architecture&Environment,Sichuan University,Chengdu,610065 Sichuan,PR China
出 处:《npj Computational Materials》2024年第1期724-736,共13页计算材料学(英文)
基 金:supported by the National Natural Science Foundation of China(NOs.12202134 and 12372154);the Natural Science Foundation of Hebei Province(NO.A2024407001);the Science Research Project of Hebei Education Department(No.BJK2024032).
摘 要:Two-dimensional(2D)multiferroic materials are recognized as promising candidates for nextgeneration nanodevices due to their tunable magnetoelectric coupling and distinctive physical phenomena.In this study,we proposed a novel 2D multiferroic van der Waals heterostructure(vdWH)by stacking atomic layers of ferroelectric In_(2)Se_(3)and ferromagnetic MnI3.Using first-principles calculations,we found that theMnI3/In_(2)Se_(3)vdWH exhibit robust metallic conductivity across various spin and polarization states,preserving the distinctive band characteristics of isolated In_(2)Se_(3)and MnI_(3).
关 键 词:FERROELECTRIC COUPLING MAGNETO
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