Intrinsic two-dimensional multiferroicity in CrNCl2 monolayer
Wei Shen(沈威)1,2,3,†, Yuanhui Pan(潘远辉)1,3,†, Shengnan Shen(申胜男)1,2,‡, Hui Li(李辉)1,2,§, Siyuan Nie(聂思媛)1, and Jie Mei(梅杰)4
1 School of Power and Mechanical Engineering, Wuhan University, Wuhan 430072, China; 2 Research Institute of Wuhan University in Shenzhen, Shenzhen 518057, China; 3 Department of Quantum and Energy Materials, International Iberian Nanotechnology Laboratory, Braga 4715-330, Portugal; 4 School of Logistic Engineering, Wuhan University of Technology, Wuhan 430070, China
Abstract Two-dimensional multiferroics, which simultaneously possess ferroelectricity and magnetism in a single phase, are well-known to possess great potential applications in nanoscale memories and spintronics. On the basis of first-principles calculations, a CrNCl2 monolayer is reported as an intrinsic multiferroic. The CrNCl2 has an antiferromagnetic ground state, with a Néel temperature of about 88 K, and it exhibits an in-plane spontaneous polarization of 200 pC/m. The magnetic moments of CrNCl2 mainly come from the dxy orbital of the Cr cation, but the plane of the dxy orbital is perpendicular to the direction of the ferroelectric polarization, which hardly suppresses the occurrence of ferroelectricity. Therefore, the multiferroic exits in the CrNCl2. In addition, like CrNCl2, the CrNBr2 is an intrinsic multiferroic with antiferromagnetic-ferroelectric ground state while CrNI2 is an intrinsic multiferroic with ferromagnetic-ferroelectric ground state. These findings enrich the multiferroics in the two-dimensional system and enable a wide range of applications in nanoscale devices.
Fund: Project supported by the National Key R&D Program of China (Grant No. 2019YFB1704600), the International Cooperation Research Project of Shenzhen (Grant No. GJHZ20180413182004161), the Hubei Provincial Natural Science Foundation of China (Grant No. 2020CFA032), the National Natural Science Foundation of China (Grant No. 51805395), and the China Scholarship Council (Grant No. 201906270142).
Corresponding Authors:
Shengnan Shen, Hui Li
E-mail: shen_shengnan@whu.edu.cn;li_hui@whu.edu.cn
Cite this article:
Wei Shen(沈威), Yuanhui Pan(潘远辉), Shengnan Shen(申胜男), Hui Li(李辉), Siyuan Nie(聂思媛), and Jie Mei(梅杰) Intrinsic two-dimensional multiferroicity in CrNCl2 monolayer 2021 Chin. Phys. B 30 117503
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