Lu Jinlian, Guo Nini, Duan Yuanyuan, Wang Shu, Mao Yuxuan, Yi Sun, Meng Lijuan, Yao Xiaojing, Zhang Xiuyun
Department of Physics, Yancheng Institute of Technology, Yancheng, Jiangsu 224051, China.
College of Physics and Hebei Advanced Thin Films Laboratory, Hebei Normal University, Shijiazhuang 050024, China.
Phys Chem Chem Phys. 2023 Aug 16;25(32):21227-21235. doi: 10.1039/d3cp01590d.
Multiferroic van der Waals (vdW) heterostructures (HSs) prepared by combining different ferroic materials offer an exciting platform for next-generation nanoelectronic devices. In this work, we investigate the magnetoelectric coupling properties of multiferroic vdW HSs consisting of a magnetic TMBr (TM = V-Ni) monolayer and a ferroelectric GaSSe monolayer using first-principles theory calculations. It is found that the magnetic orderings in the magnetic TMBr layers are robust and the band alignment of these TMBr/GaSSe HSs can be altered by reversing the polarization direction of the ferroelectric layer. Among them, VBr/GaSSe and FeBr/GaSSe HSs can be switched from a type-I to a type-II semiconductor, which allows the generation of spin-polarized and unpolarized photocurrent. Besides, CrBr/GaSSe, CoBr/GaSSe and NiBr/GaSSe exhibit a type-II band alignment in reverse ferroelectric polarization states. Moreover, the magnetic configuration and band alignment of these TMBr/GaSSe HSs can be further modulated by applying an external strain. Our findings suggest the potential of TMBr/GaSSe HSs in 2D multiferroic and spintronic applications.
通过结合不同的铁电材料制备的多铁性范德华（vdW）异质结构（HSs）为下一代纳米电子器件提供了一个令人兴奋的平台。在这项工作中，我们使用第一性原理理论计算研究了由磁性TMBr（TM = V-Ni）单层和铁电GaSSe单层组成的多铁性vdW HSs的磁电耦合特性。发现磁性TMBr层中的磁有序是稳定的，并且这些TMBr/GaSSe HSs的能带排列可以通过反转铁电层的极化方向来改变。其中，VBr/GaSSe和FeBr/GaSSe HSs可以从I型半导体转变为II型半导体，这使得能够产生自旋极化和非极化光电流。此外，CrBr/GaSSe、CoBr/GaSSe和NiBr/GaSSe在反向铁电极化状态下表现出II型能带排列。而且，通过施加外部应变可以进一步调制这些TMBr/GaSSe HSs的磁构型和能带排列。我们的研究结果表明TMBr/GaSSe HSs在二维多铁性和自旋电子学应用中的潜力。
