Tunable magnetic and electronic properties of CrS2/VS2 lateral superlattices

Abstract

Two-dimensional (2D) lateral heterostructures and superlattices, especially those based on transition metal dichalcogenides, boast exceptional properties for electronics, optoelectronics, and photovoltaics. Our study delves into the intricate superlattice architecture of CrS₂/VS₂, as well as its magnetic and electronic attributes, utilizing the framework of density functional theory. The CrS₂/VS₂ superlattice, crafted by seamlessly stitching together CrS₂ and VS₂ monolayers along their armchair interfaces, demonstrates remarkable stability and magnetism. Notably, the magnetic phase transitions exhibited by this superlattice are intricately linked to its overall size and sublattice width. Furthermore, the electronic structures of these CrS₂/VS₂ superlattices exhibit a strong dependence on the widths of the CrS₂ and VS₂ ribbons. In smaller superlattices, spin-down electrons establish semiconductor–semiconductor contacts with a distinct type II band alignment. Conversely, spin-up electrons forge metal–metal contacts, facilitating spin-dependent 2D electron segregation. However, in larger superlattices, the electronic states are more constrained, leading to metal–semiconductor contacts that exhibit ohmic conductivity within a single spin channel. This versatility in integrating various magnetic and contact modes fosters multiple structural configurations, ushering in an exciting new paradigm characterized by significant tunability. This advancement holds immense promise for the development and application of multifunctional spintronic devices, offering a wide range of possibilities for future technological innovations.