Strain-induced magnetism in ReS ₂ monolayer with defects

Abstract

We investigate the effects of strain on the electronic and magnetic properties of ReS 2 monolayer with sulfur vacancies using density functional theory. Unstrained ReS 2 monolayer with monosulfur vacancy (V S ) and disulfur vacancy (V 2S ) both are nonmagnetic. However, as strain increases to 8%, V S -doped ReS 2 monolayer appears a magnetic half-metal behavior with zero total magnetic moment. In particular, for V 2S -doped ReS 2 monolayer, the system becomes a magnetic semiconductor under 6% strain, in which Re atoms at vicinity of vacancy couple anti-ferromagnetically with each other, and continues to show a ferromagnetic metal characteristic with total magnetic moment of 1.60µ B under 7% strain. Our results imply that the strain-manipulated ReS 2 monolayer with V S and V 2S can be a possible candidate for new spintronic applications.

Adsorption and Diffusion of Lithium and Sodium on Defective Rhenium Disulfide: A First Principles Study

“…For example, CVD-grown MoS 2 possesses inferior carrier mobility compared to their exfoliated counterparts. Also, point defects have been demonstrated to alter the magnetic properties of ReS 2 and NbSe 2 significantly. It has been reported that point defects in graphene and MoS 2 increase the adsorption capability of Li ions and therefore increase the storage capacity of the battery.…”

Strain-Controllable Phase and Magnetism Transitions in Re-Doped MoTe2 Monolayer

“…Besides, as shown in Figure c,d, only 1T′-Mo 0.9 Re 0.1 Te 2 , which contains the less doping atoms than 1T′-Mo 0.875 Re 0.125 Te 2 can generate the magnetism moments among 1T′-Mo 1– x Re x Te 2 configurations. It is because of that that the relatively high Re doping concentration makes the magnetic behavior of 1T′-Mo 1– x Re x Te 2 similar to that of 1T′-ReX 2 (X = S, Se, and Te) sheets, which are found to be nonmagnetic intrinsically, and the strain engineering cannot induce the magnetic moment in pristine ReX 2 monolayers; it continues to be nonmagnetic, even in the ReS 2 monolayer, with the S vacancy at a strain of 8% . Thus, the highly doped Mo 1– x Re x Te 2 are ReX 2 -like in the aspect of magnetic properties.…”

ReX2 (X=S,Se): A New Opportunity for Development of Two-dimensional Anisotropic Materials

“…尽管拥有独特本征性质的 ReX 2 已经在很多方 面表现出优异的性能, 但通过其他手段提高和改进 材料的性能仍旧是一个大家比较感兴趣的方向。研 究者们已经通过应力工程 [152][153][154][155][156][157][158][159][160][161][162][163][164] 、分子修饰 [16,[165][166][167][168] 和元素掺杂 [169][170][171] 等手段研究了 ReX 2 性质和性能的 变化。对于各向异性而言, 外部环境对材料本征各 向异性的影响是人们较为关注的问题。目前, ReX 2 相转变是材料各向异性性质变化的一种明显反映。 Li 等 [152]…”