首页|Two-dimensional Cr2Cl3S3 Janus magnetic semiconductor with large magnetic exchange interaction and high-Tc

Two-dimensional Cr2Cl3S3 Janus magnetic semiconductor with large magnetic exchange interaction and high-Tc

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The two-dimensional(2D)Janus monolayers are promising in spintronic device application due to their enhanced magnetic couplings and Curie temperatures.Van der Waals CrCl3 monolayer has been experimentally proved to have an in-plane magnetic easy axis and a low Curie temperature of 17 K,which will limit its application in spintronic devices.In this work,we propose a new Janus monolayer Cr2Cl3S3 based on the first principles calculations.The phonon dispersion and elastic constants confirm that Janus monolayer Cr2Cl3S3 is dynamically and mechanically stable.Our Monte Carlo simulation results based on magnetic exchange constants reveal that Janus monolayer Cr2Cl3S3 is an intrinsic ferromagnetic semiconductor with TC of 180 K,which is much higher than that of CrCl3 due to the enhanced ferromagnetic coupling caused by S substitution.Moreover,the magnetic easy axis of Janus Cr2Cl3S3 can be tuned to the perpendicular direction with a large magnetic anisotropy energy(MAE)of 142 peV/Cr.Furthermore,the effect of biaxial strain on the magnetic property of Janus monolayer Cr2Cl3S3 is evaluated.It is found that the Curie temperature is more robust under tensile strain.This work indicates that the Janus monolayer Cr2Cl3S3 presents increased Curie temperature and out-of-plane magnetic easy axis,suggesting greater application potential in 2D spintronic devices.

first-principles calculations2D materialsmagnetic propertiesferromagentic semiconductor

伏磊、李沙沙、薄祥䶮、马赛、李峰、普勇

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School of Science & New Energy Technology Engineering Laboratory of Jiangsu Provence,Nanjing University of Posts and Telecommunications(NJUPT),Nanjing 210023,China

National Natural Science Foundation of ChinaNatural Science Foundation of Jiangsu Province,ChinaNatural Science Foundation of Jiangsu Province,ChinaNatural Science Foundation of Jiangsu Province,ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaJiangsu Specially-Appointed Professor ProgramNatural Science Foundation of Jiangsu Province,ChinaNatural Science Foundation of Jiangsu Province,ChinaOverseas Researcher Innovation Program of Nanjing,NUPTSFNatural Science Fund for Colleges and Universities in Jiangsu Province,ChinaNational Natural Science Foundation of China

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2024

10.1088/1674-1056/ad5538

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(9)