Xu Wei, Yan Shiming, Qiao Wen
College of Science, Henan University of Technology Zhengzhou 450001 P. R. China
RSC Adv. 2018 Feb 23;8(15):8435-8441. doi: 10.1039/c7ra10304b. eCollection 2018 Feb 19.
The magnetic properties of 1T-MoS and 1T-MoSH subjected to equiaxial tensile strain are calculated using density functional theory. It is shown that in a strain-free state, 1T-MoS and 1T-MoSH both exhibit magnetic behavior; as the strain increases, their magnetic properties show an increasing trend. This shows a significant difference from those of 2H-MoS and 2H-MoSH. Based on Crystal Field Theory, the magnetic generation and variation of 1T-MoS and 1T-MoSH are explained in this paper. The good tunable magnetic properties of 1T-MoS and 1T-MoSH suggest that they could be applied as a spin injection source for spin electronics.
使用密度泛函理论计算了承受等轴拉伸应变的1T-MoS和1T-MoSH的磁性。结果表明，在无应变状态下，1T-MoS和1T-MoSH均表现出磁性行为；随着应变增加，它们的磁性呈上升趋势。这与2H-MoS和2H-MoSH的情况存在显著差异。本文基于晶体场理论解释了1T-MoS和1T-MoSH的磁性产生及变化。1T-MoS和1T-MoSH良好的可调磁性表明它们可作为自旋电子学的自旋注入源。
