A heterostructure of C3N/h-BN with effectively regulated electronic properties by E-field and strain.

The C 3 N/h-BN is a narrow-gap semiconductor and has uniquely E-field/strain dependent and highly adjustable electronic properties. The band gap of C 3 N/h-BN heterostructure is sensitive to the strain, and keeps its semiconductor characteristics with a linear and highly controllable change rule. Electric fields can be effectively used to keep semiconductor or metal state steadily within a specified range of electric fields, suggesting a broad prospect in the area of electronic devices, such as switching devices, data storage devices. [Display omitted] • The C 3 N is bonded to the h-BN monolayer via weak vdW forces. • The band gap of the heterostructure is linearly positive-correlated with strain. • The E-field could make the heterostructure change from semiconductor to metal. • The semiconductor or metal state can be kept stable within a defined E-field range. Heterostructures are widely used in 2D material-based semiconductor industry because of their effective regulation toward certain materials for desirable performance. In this work, we have comprehensively investigated the structural and electronic properties of the C 3 N/h-BN heterostructure by means of density functional theory. Obtained results show that the proposed heterostructure is a narrow-gap semiconductor and it also has uniquely E-field/strain dependent relationship and highly adjustable peculiarity. More specifically, its band gap structure shows different trends under external E-field and strain, which shows up remarkable capability and favorable applicability in the field of semiconductor band gap engineering. [ABSTRACT FROM AUTHOR]