Enhanced Magnetism in Heterostructures with Transition-Metal Dichalcogenide Monolayers

Abstract

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 $\text{Fe}/{\text{WSe}}_2/\text{Pt}$ systems containing pristine, defective, or doped ${\text{WSe}}_2$ monolayers. The proximity effects of the ferromagnetic Fe layer are studied by considering defective and vanadium-doped ${\text{WSe}}_2$ 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 ${\text{WSe}}_2$. There is an increase in the overall total density of states at the Fermi level due to ${\text{WSe}}_2$; 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 ${\text{WSe}}_2$ monolayers.

arXiv comment22 pages, 5 figures, 1 table

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Cited by in corpus (2)

• Retrieval of material properties of monolayer transition-metal dichalcogenides from magnetoexciton energy spectra
• Interface Magnetism in Vanadium-doped MoS${}_2$/Graphene Heterostructures