Theoretical study of the interface engineering for H-diamond field effect transistors with h-BN gate dielectric and graphite gate

Diamond has compelling advantages in power devices as an ultrawide-bandgap semiconductor. Using first-principles calculations, we systematically investigate the structural and electronic properties of hydrogen-terminated diamond (H-diamond) (111) van der Waals (vdW) heterostructures with graphite hexagonal boron nitride (h-BN) layers. The graphite/H-diamond heterostructure forms a p-type ohmic contact Schottky barrier decreases number layers increases. In contrast, h-BN/H-diamond exhibits semiconducting tunable type-II band alignment. Moreover, charge transfer is concentrated at interface large amount accumulating on C–H bonds H-diamond surface, indicating formation highly conductive two-dimensional hole gas (2DHG) layer. similar vein, promising graphite, h-BN, graphite/h-BN/H-diamond vdW are well preserved upon their contact, while such flexible offset contacts. These studies engineering for expected to advance application 2D materials field effect transistors, which important development design surface doping 2DHG devices.