Quzhou University, Quzhou 324000, P. R. China.
Phys Chem Chem Phys. 2018 Dec 19;21(1):132-136. doi: 10.1039/c8cp06535g.
Akin to three dimensional (3D) multiferroics, two dimensional (2D) piezoelectric materials with intrinsic magnetic properties are promising applications in nanoscale spintronic devices. In this study, 2D magnetic transition metal dichalcogenides (VS2, VSe2, and Janus-VSSe) have been investigated by the first principles method for their structural, magnetic, electronic, and piezoelectric properties. H type Janus-VSSe has been shown to be more stable than the T type, and dynamically stable through phonon frequency analysis. Our calculations show that H type Janus-VSSe is not only a magnetic semiconductor but also exhibits appreciable in-plane and vertical piezoelectricity. Additionally, H type VS2 and VSe2 also show high in-plane piezoelectricity. The calculated values of in-plane piezoelectricity for these magnetic materials are higher than traditional 3D piezoelectric materials such as α-quartz. The coexistence of magnetism and piezoelectricity in H type VS2, Janus-VSSe, and VSe2 makes them promising piezoelectric materials in nanoscale spin devices.
类似于三维（3D）多铁性材料，具有本征磁性的二维（2D）压电材料在纳米尺度自旋电子器件中有很好的应用前景。在这项研究中，我们通过第一性原理方法研究了二维磁性过渡金属二卤族化合物（VS2、VSe2 和 Janus-VSSe）的结构、磁性、电子和压电性质。通过声子频率分析，我们发现 H 型 Janus-VSSe 比 T 型 Janus-VSSe 更稳定，且动力学稳定。我们的计算表明，H 型 Janus-VSSe 不仅是一种磁性半导体，而且还表现出可观的平面内和垂直压电性。此外，H 型 VS2 和 VSe2 也表现出较高的平面内压电性。这些磁性材料的平面内压电系数的计算值高于传统的 3D 压电材料，如α-石英。H 型 VS2、Janus-VSSe 和 VSe2 中磁性和压电性的共存使它们成为纳米尺度自旋器件中很有前途的压电材料。
