学术文献库

With the use of density functional theory calculations and addition of van der Waals correction, the graphene/HfS$_2$ heterojunction is constructed, and its electronic properties are examined thoroughly. This interface is determined as $n$-type Ohmic and the impacts of different amounts of interlayer distance and strain on the contact are shown using Schottky barrier height and electron injection efficiency. Dipole moment and workfunction of the interface are also altered when subjected to change in these two categories. The transition between Ohmic to Schottky contact is also depicted to be possible by applying a perpendicular electric field, proving this to be yet another useful method for tuning different properties of this structure. The conclusions given in this paper can exert an immense amount of influence on the development of two-dimensional HfS$_2$ based devices in the future.