Xin Chao, Song Bingqian, Yin Yaohui, Wang Ai, Sun Zhixin, Jin Guangyong, Song Yongli, Pan Feng
School of Science, Changchun University of Science and Technology, Jilin Key Laboratory of Solid-State Laser Technology and Application, Changchun 130022, China.
School of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, China.
Nanoscale. 2023 Sep 21;15(36):14923-14930. doi: 10.1039/d3nr02600k.
Two-dimensional (2D) magnetoelectric multiferroic materials with the coexistence of magnetization and ferroelectric polarization hold potential for application for the development of next-generation nano-memory devices. However, intrinsic 2D multiferroics with a high critical temperature and strong magnetoelectric coupling are still rare to date. Here, we propose a novel mechanism of 2D monolayer multiferroicity. Based on density functional theory (DFT), we predicted that in a MoNCl monolayer, the non-equilibrium charge disproportionation of Mo ions will induce an out-of-plane electric polarization, making this material a 2D monolayer multiferroic material. More importantly, the magnetic critical temperature is calculated to be ∼168 K, which is larger than those of the recently reported 2D multiferroic and ferromagnetic systems. Our findings also provide a promising platform to control the magnetic properties and electric behavior in 2D multiferroics using an external electric field.
具有磁化和铁电极化共存的二维（2D）磁电多铁性材料在下一代纳米存储器件的开发应用方面具有潜力。然而，迄今为止，具有高临界温度和强磁电耦合的本征二维多铁性材料仍然很少见。在此，我们提出了一种二维单层多铁性的新机制。基于密度泛函理论（DFT），我们预测在MoNCl单层中，Mo离子的非平衡电荷歧化将诱导面外电极化，使这种材料成为二维单层多铁性材料。更重要的是，计算出的磁临界温度约为168 K，高于最近报道的二维多铁性和铁磁系统的临界温度。我们的研究结果还提供了一个有前景的平台，可利用外部电场来控制二维多铁性材料中的磁性和电学行为。
