Ferromagnetic half-metal properties of two dimensional vertical tellurene/VS2 heterostructure: A first-principles study

Vertical integration of two-dimensional (2D) materials has recently emerged as an exciting method for the design of electronic and optoelectronic devices. Searching for ferromagnetic (FM) Van der Waals (vdW) heterostructures with high Curie temperature and multiple-band alignments is crucial to develop next-generation spintronic and optoelectronic nanodevices. In this work, first-principles calculations are employed to explore the structural and electronic properties of vertical tellurene/VS2 vdW heterostructure, and the FM vdW heterostructure is found in the tellurene/VS2 heterobilayer with Curie temperature of 150 K and type-III alignment. The ferromagnetic half-metal properties of two dimensional vertical tellurene/VS2 heterostructure provide the possibilities of realizing the high-temperature FM vdW heterostructures in practice.