MXene HfMnCO/ScCO多铁性异质结构中的非挥发性可切换半金属性和磁性

Nonvolatile switchable half-metallicity and magnetism in the MXene HfMnCO/ScCO multiferroic heterostructure.

作者信息

Wu Changwei, Sun Shanwei, Gong Weiping, Li Jiangyu, Wang Xiao

机构信息

Guangdong Provincial Key Laboratory of Electronic Functional Materials and Devices, Huizhou University, Huizhou 516001, Guangdong, P. R. China.

School of Electronic Information and Electrical Engineering, Huizhou University, Huizhou 516001, Guangdong, P. R. China.

出版信息

Phys Chem Chem Phys. 2024 Feb 7;26(6):5323-5332. doi: 10.1039/d3cp04847k.

DOI:10.1039/d3cp04847k

PMID:38268467

Abstract

Nonvolatile electrical control of two-dimensional (2D) van der Waals (vdW) magnetism is important for spintronic devices. Here, using first-principles calculations, we systematically investigated the magnetic properties of the MXene HfMnCO combined with the ferroelectric MXene ScCO. When flipping the electric polarization of ScCO, a transition between a semiconductor and a half-metal occurs in the HfMnCO monolayer. Moreover, the ferromagnetic exchange parameter can be enhanced to 9.67 meV under polarized ↑ of ScCO, much larger than those of the pristine HfMnCO monolayer and HfMnCO/ScCO-↓. In addition, the easy magnetization axis of the HfMnCO monolayer is also dependent on the polarization orientation of ScCO. Our results indicate a multiferroic heterostructure based on MXenes, offering an effective way for obtaining nonvolatile electrical control of electronic and magnetic properties.

摘要

二维（2D）范德华（vdW）磁性的非易失性电控制对于自旋电子器件很重要。在此，我们使用第一性原理计算，系统地研究了与铁电MXene ScCO结合的MXene HfMnCO的磁性。当翻转ScCO的电极化时，HfMnCO单层中会发生半导体与半金属之间的转变。此外，在ScCO的极化↑下，铁磁交换参数可增强至9.67 meV，远大于原始HfMnCO单层和HfMnCO/ScCO-↓的参数。此外，HfMnCO单层的易磁化轴也取决于ScCO的极化取向。我们的结果表明了一种基于MXenes的多铁性异质结构，为实现电子和磁性的非易失性电控制提供了一种有效方法。