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Two-dimensional Cr2Cl3S3 Janus magnetic semiconductor with large magnetic exchange interaction and high-TC |
| Lei Fu(伏磊)†, Shasha Li(李沙沙)†,‡, Xiangyan Bo(薄祥䶮), Sai Ma(马赛), Feng Li(李峰)§, and Yong Pu(普勇)¶ |
| School of Science & New Energy Technology Engineering Laboratory of Jiangsu Provence, Nanjing University of Posts and Telecommunications (NJUPT), Nanjing 210023, China |
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Abstract The two-dimensional (2D) Janus monolayers are promising in spintronic device application due to their enhanced magnetic couplings and Curie temperatures. Van der Waals CrCl$_{3}$ 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 Cr$_{2}$Cl$_{3}$S$_{3}$ based on the first principles calculations. The phonon dispersion and elastic constants confirm that Janus monolayer Cr$_{2}$Cl$_{3}$S$_{3}$ is dynamically and mechanically stable. Our Monte Carlo simulation results based on magnetic exchange constants reveal that Janus monolayer Cr$_{2}$Cl$_{3}$S$_{3}$ is an intrinsic ferromagnetic semiconductor with $T_{\rm C}$ of 180 K, which is much higher than that of CrCl$_{3}$ due to the enhanced ferromagnetic coupling caused by S substitution. Moreover, the magnetic easy axis of Janus Cr$_{2}$Cl$_{3}$S$_{3}$ can be tuned to the perpendicular direction with a large magnetic anisotropy energy (MAE) of 142 μeV/Cr. Furthermore, the effect of biaxial strain on the magnetic property of Janus monolayer Cr$_{2}$Cl$_{3}$S$_{3}$ is evaluated. It is found that the Curie temperature is more robust under tensile strain. This work indicates that the Janus monolayer Cr$_{2}$Cl$_{3}$S$_{3}$ presents increased Curie temperature and out-of-plane magnetic easy axis, suggesting greater application potential in 2D spintronic devices.
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Received: 08 April 2024
Revised: 05 June 2024
Accepted manuscript online: 07 June 2024
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PACS:
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63.20.dk
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(First-principles theory)
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75.70.Ak
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(Magnetic properties of monolayers and thin films)
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75.50.Pp
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(Magnetic semiconductors)
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61.82.Fk
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(Semiconductors)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 12104234), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20210578, 20KJB140004, and JSSCBS20210513). Y Pu acknowledges the National Natural Science Foundation of China (Grant Nos. 61874060, U1932159, and 61911530220), Jiangsu Specially-Appointed Professor Program, the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20181388 and 19KJA180007), and the Overseas Researcher Innovation Program of Nanjing, NUPTSF (Grant No. NY217118). F Li Acknowledges the Natural Science Fund for Colleges and Universities in Jiangsu Province, China (Grant No. 21KJD140005) and the National Natural Science Foundation of China (Grant No. 12304085). |
Corresponding Authors:
Shasha Li, Feng Li, Yong Pu
E-mail: shashali@njupt.edu.cn;lifeng@njupt.edu.cn;puyong@njupt.edu.cn
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Cite this article:
Lei Fu(伏磊), Shasha Li(李沙沙), Xiangyan Bo(薄祥䶮), Sai Ma(马赛), Feng Li(李峰), and Yong Pu(普勇) Two-dimensional Cr2Cl3S3 Janus magnetic semiconductor with large magnetic exchange interaction and high-TC 2024 Chin. Phys. B 33 096301
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