Growth and electronic structure of epitaxial single-layer WS$_2$ on Au(111)

TL;DR

This study reports the epitaxial growth and detailed electronic structure analysis of single-layer WS$_2$ on Au(111), revealing significant spin-orbit splitting and anisotropic valence band dispersion, with implications for electronic and spintronic applications.

Contribution

It provides the first comprehensive characterization of epitaxial single-layer WS$_2$ on Au(111), combining experimental and theoretical insights into its electronic structure and spin-orbit effects.

Findings

Valence band maximum at K is higher than at Γ.

Spin-orbit splitting reaches 419 meV near K.

Valence band dispersion is highly anisotropic.

Abstract

Large-area single-layer WS$_2$ is grown epitaxially on Au(111) using evaporation of W atoms in a low pressure H$_2$S atmosphere. It is characterized by means of scanning tunneling microscopy, low-energy electron diffraction and core-level spectroscopy. Its electronic band structure is determined by angle-resolved photoemission spectroscopy. The valence band maximum at $\bar{K}$ is found to be significantly higher than at $\bar{\Gamma}$. The observed dispersion around $\bar{K}$ is in good agreement with density functional theory calculations for a free-standing monolayer, whereas the bands at $\bar{\Gamma}$ are found to be hybridized with states originating from the Au substrate. Strong spin-orbit coupling leads to a large spin-splitting of the bands in the neighborhood of the $\bar{K}$ points, with a maximum splitting of 419(11)~meV. The valence band dispersion around $\bar{K}$ is found to be highly anisotropic with spin-branch dependent effective hole masses of $0.40(02)m_e$ and $0.57(09)m_e$ for the upper and lower split valence band, respectively. The large size of the spin-splitting and the low effective mass of the valence band maximum make single-layer WS$_2$ a promising alternative to the widely studied MoS$_2$ for applications in electronics, spintronics and valleytronics.