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Intrinsic single-layer multiferroics in transition-metal-decorated chromium trihalides

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摘要 Two-dimensional materials possessing intrinsic multiferroic properties have long been sought to harness the magnetoelectric coupling in nanoelectronic devices.Here,we report the achievement of robust type I multiferroic order in single-layer chromium trihalides by decorating transition metal atoms.The out-of-plane ferroelectric polarization exhibits strong atomic selectivity,where 12 of 84 single-layer transition metal-based multiferroic materials possess out-of-plane ferroelectric or antiferroelectric polarization.
出处 《npj Computational Materials》 CSCD 2024年第1期1367-1376,共10页 计算材料学(英文)
基金 supported by the National Natural Science Foundation of China(Grant Nos.12374172,11974045,61888102) the National Key Research and Development Program of China(Grants No.2020YFA0308800) “Strategic Priority Research Program(B)”of the Chinese Academy of Sciences(Grant No.XDB30000000).
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