Wang Xinwei, Xiao Chengcheng, Yang Chao, Chen Miaogen, Yang Shengyuan A, Hu Jun, Ren Zhaohui, Pan Hui, Zhu Wenguang, Xu Zhu-An, Lu Yunhao
State Key Laboratory of Silicon Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China.
State Key Laboratory of Silicon Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China; Departments of Materials and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, UK.
Sci Bull (Beijing). 2020 Aug 15;65(15):1252-1259. doi: 10.1016/j.scib.2020.04.014. Epub 2020 Apr 9.
The electric control of magnetic properties based on magnetoelectric effect is crucial for the development of future data storage devices. Here, based on first-principles calculations, a strong magnetoelectric effect is proposed to effectively switch on/off the magnetic states as well as alter the in-plane/perpendicular easy axes of metal-phthalocyanine molecules (MPc) by reversing the electric polarization of the underlying two-dimensional (2D) ferroelectric α-InSe substrate with the application of an external electric field. The mechanism originates from the different hybridization between the molecule and the ferroelectric substrate in which the different electronic states of surface Se layer play a dominant role. Moreover, the magnetic moments and magnetic anisotropy energies (MAE) of OsPc/InSe can be further largely enhanced by a functionalized atom atop the OsPc molecule. The I-OsPc/InSe system possesses large MAE up to 30 meV at both polarization directions, which is sufficient for room-temperature applications. These findings provide a feasible scheme to realize ferroelectric control of magnetic states in 2D limit, which have great potential for applications in nanoscale electronics and spintronics.
基于磁电效应的磁性电控制对于未来数据存储设备的发展至关重要。在此，基于第一性原理计算，提出了一种强磁电效应，通过施加外部电场来反转底层二维（2D）铁电α-InSe衬底的电极化，从而有效地开启/关闭金属酞菁分子（MPc）的磁态以及改变其面内/垂直易轴。该机制源于分子与铁电衬底之间不同的杂化作用，其中表面Se层的不同电子态起主导作用。此外，通过在OsPc分子顶部引入一个功能化原子，可以进一步大幅增强OsPc/InSe的磁矩和磁各向异性能量（MAE）。I-OsPc/InSe系统在两个极化方向上都具有高达30 meV的大MAE，这足以满足室温应用。这些发现提供了一种在二维极限下实现磁态铁电控制的可行方案，在纳米级电子学和自旋电子学中具有巨大的应用潜力。
