Electronic Structure of Epitaxial Single-Layer MoS$_2$

TL;DR

This study investigates the electronic structure of epitaxial single-layer MoS$_2$ on Au(111) using photoemission spectroscopy, revealing doping effects, spin-orbit splitting, and the potential for band structure engineering.

Contribution

It provides detailed experimental insights into the electronic properties of epitaxial MoS$_2$, including doping effects and spin-orbit interactions, with implications for band engineering.

Findings

Potassium doping induces a direct band gap of 1.39 eV at K point.

Spin-orbit interaction causes a 145 meV splitting of the valence band at K.

Moiré superstructure does not produce observable replica bands or minigaps.

Abstract

The electronic structure of epitaxial single-layer MoS$_2$ on Au(111) is investigated by angle-resolved photoemission spectroscopy. Pristine and potassium-doped layers are studied in order to gain access to the conduction band. The potassium-doped layer is found to have a (1.39$\pm$0.05)~eV direct band gap at $\bar{K}$ with the valence band top at $\bar{\Gamma}$ having a significantly higher binding energy than at $\bar{K}$. The moir\'e superstructure of the epitaxial system does not lead to the presence of observable replica bands or minigaps. The degeneracy of the upper valence band at $\bar{K}$ is found to be lifted by the spin-orbit interaction, leading to a splitting of (145$\pm$4)~meV. This splitting is anisotropic and in excellent agreement with recent calculations. Finally, it is shown that the strength of the potassium doping is $k$-dependent, leading to the possibility of band structure engineering in single-layers of transition metal dichalcogenides.