Gao Zhen, He Yao, Xiong Kai
Department of Physics, Yunnan University, Kunming 650091, People's Republic of China.
Materials Genome Institute, School of Materials and Energy, Yunnan University, Kunming 650091, P. R. China.
Dalton Trans. 2023 Nov 28;52(46):17416-17425. doi: 10.1039/d3dt03031h.
In the context of developing next-generation information technology, two-dimensional materials with inherent ferromagnetism, a Curie temperature above room temperature, and significant magnetic anisotropy hold great promise. In this work, we employed first-principles calculations to investigate a novel two-dimensional Janus structure, namely SVAN (A = Si, Ge). Our findings reveal that these structures are not only dynamically and thermally stable, but also exhibit semiconductor properties alongside their ferromagnetic states. The Janus SVSiN monolayer exhibits an in-plane easy axis, while the SVGeN monolayer shows an out-of-plane easy axis, both characterized by a significant magnetic anisotropy energy (129 and 172 μeV, respectively). Notably, through Monte Carlo simulation, we found that the Curie temperature of the SVSiN monolayer is 330 K, which is higher than room temperature. Finally, by applying biaxial strain and an external electric field, we successfully regulated the electronic properties of the SVAN (A = Si, Ge) monolayers, enabling a transition from semiconductor to half-metallic behavior. These remarkable electronic and magnetic properties make the Janus SVAN (A = Si, Ge) monolayers promising candidate materials for spin electron applications.
在下一代信息技术发展的背景下,具有固有铁磁性、居里温度高于室温且具有显著磁各向异性的二维材料具有巨大潜力。在这项工作中,我们采用第一性原理计算来研究一种新型二维Janus结构,即SVAN(A = Si、Ge)。我们的研究结果表明,这些结构不仅动态和热稳定,而且在铁磁态的同时还表现出半导体特性。Janus SVSiN单层表现出平面内易轴,而SVGeN单层表现出平面外易轴,两者都具有显著的磁各向异性能量(分别为129和172 μeV)。值得注意的是,通过蒙特卡罗模拟,我们发现SVSiN单层的居里温度为330 K,高于室温。最后,通过施加双轴应变和外部电场,我们成功调控了SVAN(A = Si、Ge)单层的电子特性,实现了从半导体到半金属行为的转变。这些卓越的电子和磁性特性使Janus SVAN(A = Si、Ge)单层成为自旋电子应用中有前景的候选材料。