Abstract For its ultra-high conductivity, room temperature ferromagnetic, and robust stability, monolayer 1T VSe2 acts as a promising two-dimensional (2D) material for new spintronics device. However, Ohmic contact with semiconductor is a desirable property for high-performance devices due to the obstruction of strong Fermi level pinning effect at the Schottky interface. Herein, we employ density functional theory to explore a series of VSe2-based van der Waals heterojunctions, in which Ohmic contact is only found in the VSe2-multilayer MoSSe junctions due to the destruction of depletion region and the increase of electron tunneling probability. Moreover, applying appropriate biaxial tensile stress can also lead to the transition from Schottky-to-Ohmic contact in the VSe2-based metal-semiconductor junctions. Our results provide an avenue for the design of future 2D VSe2-based electronics.

中文翻译：

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基于 1T VSe2 的范德华异质结中从肖特基接触到欧姆接触的转变：堆叠和应变效应

摘要 单层 1T VSe2 具有超高的导电性、室温铁磁性和强大的稳定性，是一种很有前途的新型自旋电子器件二维 (2D) 材料。然而，由于肖特基界面处强费米能级钉扎效应的阻碍，与半导体的欧姆接触是高性能器件的理想特性。在此，我们利用密度泛函理论探索了一系列基于 VSe2 的范德华异质结，其中由于耗尽区的破坏和电子隧穿概率的增加，欧姆接触仅在 VSe2-多层 MoSSe 结中发现。此外，施加适当的双轴拉伸应力也可以导致 VSe2 基金属-半导体结中从肖特基接触到欧姆接触的转变。