凝聚态物理
杰纳斯
异质结
反铁磁性
堆积
材料科学
自旋(空气动力学)
单层
物理
纳米技术
核磁共振
热力学
作者
Yingqiu Li,Zongnan Zhang,Xuefeng Wu,Yaping Wu,X. Li,Chunmiao Zhang,Yiyan Cao,Zhiming Wu,Junyong Kang
标识
DOI:10.1088/1361-6463/acce45
摘要
Abstract The manipulation of spin and valley degree of freedom in two-dimensional materials is desirable for emerging applications in next-generation electronics. Here, we report a regulation of the spin splitting in monolayer antiferromagnetic MnPSe 3 through stacking van der Waals (vdW) heterostructures with transition-metal dichalcogenides (TMDs). Different TMDs including Janus MoSSe, MoSe 2 , and MoS 2 are engaged and the spin and valley dependences on stacking configurations, interfacial atoms, and interlayer spacings are comprehensively investigated based on first-principles calculations. The results show that spin degeneracy of MnPSe 3 can be lifted through the interfacial interaction in the vdW heterostructures. Compared with the MnPSe 3 interfacing with traditional TMDs (MoSe 2 and MoS 2 ), those with Janus TMDs (MoSSe or MoSeS) have larger spin splitting. A maximal spin splitting of 50.8 meV at valence band maximum is achieved in MoSSe/MnPSe 3 heterostructure, and such splitting is further enhanced to 243.0 meV when the interlayer spacing is reduced to 2.9 Å. It is found that the different hybridizations between the d -orbitals of the two inequivalent Mn atoms in MnPSe 3 and the above TMDs lead to the occurrence of net magnetic moments, and thus induce spin splitting. This work paves a novel way to modify the spin-valley properties of two-dimensional semiconductors.
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