First-principles of external electric field regulates the interface properties of V2NO2/MoGe2N4 heterojunction
The fundamental properties of V2NO2 and MoGe2N4 and the electric field response of their heterostructured interfaces are systematically investigated using first principles calculations.V2NO2 exhibits metallic like properties,while MoGe2N4 exhibits indirect bandgap semiconductor properties.Heterojunctions constructed with two different structures have six different stacking methods,and all configurations have been optimized.The lowest energy configuration has been selected for electric field response characteristics analysis.The electric field response of the V2NO2/MoGe2N4 heterostructure is characterised by a van der Waals interaction,and the two structures maintain their intrinsic properties well in the heterostructure.The V2NO2/MoGe2N4 heterojunction can switch between p-type Schottky contacts and Ohmic contacts under the modulation of an external electric field.The results show that V2NO2/MoGe2N4 is a tunable metal/semiconductor contact.