Two-dimensional materials and their heterostructures
have opened
up new possibilities for magnetism at the nanoscale. In this study,
we utilize first-principles simulations to investigate the structural,
electronic, and magnetic properties of Fe/WSe2/Pt systems
containing pristine, defective, or doped WSe2 monolayers.
The proximity effects of the ferromagnetic Fe layer are studied by
considering defective and vanadium-doped WSe2 monolayers.
All heterostructures are found to be ferromagnetic, and the insertion
of the transition-metal dichalcogenide results in a redistribution
of spin orientation and an increased density of magnetic atoms due
to the magnetized WSe2. There is an increase in the overall
total density of states at the Fermi level due to WSe2;
however, the transition-metal dichalcogenide may lose its distinct
semiconducting properties due to the stronger than van der Waals coupling.
Spin-resolved electronic structure properties are linked to larger
spin Seebeck coefficients found in heterostructures with WSe2 monolayers.
The magnetic proximity effect (MPE) has recently been explored to manipulate interfacial properties of two-dimensional (2D) transition metal dichalcogenide (TMD)/ferromagnet heterostructures for use in spintronics and valleytronics. However, a full understanding of the MPE and its temperature and magnetic field evolution in these systems is lacking. In this study, the MPE has been probed in Pt/WS2/BPIO (biphase iron oxide, Fe3O4 and a-Fe2O3) heterostructures through a comprehensive investigation of their magnetic and transport properties using magnetometry, four-probe resistivity, and anomalous Hall effect (AHE) measurements. Density functional theory (DFT) calculations are performed to complement the experimental findings. We found that the presence of monolayer WS2 flakes reduces the magnetization of BPIO and hence the total magnetization of Pt/WS2/BPIO at T > ~120 K—the Verwey transition temperature of Fe3O4 (TV). However, an enhanced magnetization is achieved at T < TV. In the latter case, a comparative analysis of the transport properties of Pt/WS2/BPIO and Pt/BPIO from AHE measurements reveals ferromagnetic coupling at the WS2/BPIO interface. Our study forms the foundation for understanding MPE-mediated interfacial properties and paves a new pathway for designing 2D TMD/magnet heterostructures for applications in spintronics, opto-spincaloritronics, and valleytronics.
The effects of DMA+ cation orientation on the electronic structures and magnetic properties of the metal–organic framework VNU-15 are investigated, and VNU-15 is proved to be a prospective material for photocatalytic applications.
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