Tunable electrical contact properties in two-dimensional van der Waals VC/MoSiNheterostructures.

Two-dimensional MoSiNis a member of the emerging 2D MANfamily, which has been synthesized in experiments, recently. Herein, we conduct a first-principles investigation to study more about the atomic and electronic structures of VC/MoSiN(1T-phase) van der Waals heterostructures (vdWHs) and interlayer distance and an external perpendicular electric field change their tunable electronic structures. We demonstrate that the VC/MoSiNvdWHs contact forms n-type Schottky contact with an ultralow Schottky barrier height of 0.17 eV, which is beneficial to enhance the charge injection efficiency. In addition, the electronic structure and interfacial properties of VC/MoSiNvdWHs can be transformed from n-type to p-type ShC through the effect of layer spacing and electric field. At the same time, the transition from ShC to OhC can also occur by relying on the electric field and different interlayer spacing. Our findings could give a novel approach for developing optoelectronic applications based on VC/MoSiNvdW heterostructures.