期刊
CURRENT APPLIED PHYSICS
卷 39, 期 -, 页码 1-7出版社
ELSEVIER
DOI: 10.1016/j.cap.2022.03.016
关键词
WS2 bilayer; Magnetic properties; Electronic structures; First principles; Transition metal dichalcogenides; Ferromagnet
资金
- Basic Science Research Program through the NRF of Korea [2017R1A2B4012972]
- National Research Foundation of Korea [2017R1A2B4012972] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
In this study, first-principles electronic structure calculations were used to investigate the structural stability and magnetic properties of Mn-doped WS2 ultra-thin films. By adjusting the doping level and growth environment, the magnetic phase can be manipulated between ferromagnetic, antiferromagnetic, or ferrimagnetic phases. The magnetic phase and strength are determined by the magnetic coupling of Mn dopants' 3d electrons, which is crucially attributed to the exchange interaction mediated by neighboring S atoms' 3p electrons. Along with the magnetic phase transition, the electronic structure shows a switch from semiconducting to half-metallic states, suggesting a possible way to develop magnetic semiconductors for spintronics applications based on Mn-doped 2D WS2 ultra-thin films.
We carried out first-principles electronic structure calculation to study the structural stability and magnetic properties of Mn-doped WS2 ultra-thin films within the density functional theory. Adopting various configurations of Mn doping into WS(2 )bilayer, we find that the magnetic phase can be manipulated among the ferromagnetic, antiferromagnetic, or ferrimagnetic phases by altering doping level and growth environment. Magnetic phase and strength are determined by magnetic coupling of Mn dopants 3d electrons which can be attributed crucially to the exchange interaction mediated by neighboring S atoms 3p electrons. Accompanying to the magnetic phase transition, the electronic structure reveals that transport properties switch from semiconducting with various bandgap to half-metallic states. This result implicates possible way to develop magnetic semiconductors based on Mn doped 2D WS2 ultra-thin films for spintronics applications.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据