Direct Imaging and Electronic Structure Modulation of Moir\'e Superlattices at the 2D/3D Interface

TL;DR

This study demonstrates how advanced microscopy and electronic structure calculations can reveal and modulate moiré patterns at 2D/3D interfaces, opening new avenues for electronic and optoelectronic device engineering.

Contribution

The paper introduces a novel approach combining STEM imaging and ab initio calculations to visualize and understand moiré patterns at 2D/3D interfaces, which was previously challenging.

Findings

Moiré patterns at the 2D/3D interface can be directly imaged using advanced STEM techniques.

Charge density at the interface is modulated by the moiré pattern, affecting electronic properties.

The method provides a pathway for moiré engineering in electronic and optoelectronic applications.

Abstract

The atomic structure at the interface between two-dimensional (2D) and three-dimensional (3D) materials influences properties such as contact resistance, photo-response, and high-frequency electrical performance. Moir\'e engineering is yet to be utilized for tailoring this 2D/3D interface, despite its success in enabling correlated physics at 2D/2D interfaces. Using epitaxially aligned MoS2/Au{111} as a model system, we demonstrate the use of advanced scanning transmission electron microscopy (STEM) combined with a geometric convolution technique in imaging the crystallographic 32 A moir\'e pattern at the 2D/3D interface. This moir\'e period is often hidden in conventional electron microscopy, where the Au structure is seen in projection. We show, via ab initio electronic structure calculations, that charge density is modulated according to the moir\'e period, illustrating the potential for (opto-)electronic moir\'e engineering at the 2D/3D interface. Our work presents a general pathway to directly image periodic modulation at interfaces using this combination of emerging microscopy techniques.