Moiré superlattices and 2D electronic properties of graphite/MoS₂ heterostructures

Abstract

<p>Heterostructures of graphite/MoS<sub>2</sub> display a wide range of lattice registry due to rotational alignment and/or lattice mismatch. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS) we investigated electronic properties of these heterostructures and observed changes in the bandgap as a function of the twist angle between the layers. Green's function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap changes. Indirect coupling between the p<sub>z</sub> orbitals of the substrate Carbon atoms and the d<sub>z2</sub> orbitals of the MoS<sub>2</sub> layers (mediated by the p<sub>z</sub> orbitals of the bottom S layers) is found to be responsible for changes in the valence-band edge. Simple stacking of van der Waals materials with diverse properties have the potential to enable the fabrication of novel materials and device structures with tailored electronic properties.</p>