Liu Lifei, Hu Xiaohui, Wang Yifeng, Krasheninnikov Arkady V, Chen Zhongfang, Sun Litao
College of Materials Science and Engineering, Nanjing Tech University, Nanjing 211816, People's Republic of China.
Jiangsu Collaborative Innovation Center for Advanced Inorganic Function Composites, Nanjing Tech University, Nanjing 211816, People's Republic of China.
Nanotechnology. 2021 Sep 9;32(48). doi: 10.1088/1361-6528/ac1a94.
Recently, as a new representative of Heisenberg's two-dimensional (2D) ferromagnetic materials, 2D CrGeTe(CGT), has attracted much attention due to its intrinsic ferromagnetism. Unfortunately, the Curie temperature () of CGT monolayer is only 22 K, which greatly hampers the development of the applications based on the CGT materials. Herein, by means of density functional theory computations, we explored the electronic and magnetic properties of CGT monolayer under the applied strain. It is demonstrated that the band gap of CGT monolayer can be remarkably modulated by applying the tensile strain, which first increases and then decreases with the increase of tensile strain. In addition, the strain can increase the Curie temperature and magnetic moment, and thus largely enhance the ferromagnetism of CGT monolayer. Notably, the obvious enhancement ofby 191% can be achieved at 10% strain. These results demonstrate that strain engineering can not only tune the electronic properties, but also provide a promising avenue to improve the ferromagnetism of CGT monolayer. The remarkable electronic and magnetic response to biaxial strain can also facilitate the development of CGT-based spin devices.
最近,作为海森堡二维(2D)铁磁材料的新代表,二维CrGeTe(CGT)因其本征铁磁性而备受关注。不幸的是,CGT单层的居里温度( )仅为22 K,这极大地阻碍了基于CGT材料的应用发展。在此,通过密度泛函理论计算,我们研究了施加应变下CGT单层的电子和磁性特性。结果表明,施加拉伸应变可显著调制CGT单层的带隙,其随拉伸应变的增加先增大后减小。此外,应变可提高居里温度和磁矩,从而大大增强CGT单层的铁磁性。值得注意的是,在10%应变下可实现 显著增强191%。这些结果表明,应变工程不仅可以调节电子特性,还为改善CGT单层的铁磁性提供了一条有前景的途径。对双轴应变的显著电子和磁响应也有助于基于CGT的自旋器件的发展。