Tip-induced creation and Jahn-Teller distortions of sulfur vacancies in single-layer MoS${}_2$

Abstract

We present an atomically precise technique to create sulfur vacancies and control their atomic configurations in single-layer MoS${}_2$. It involves adsorbed Fe atoms and the tip of a scanning tunneling microscope, which enables single sulfur removal from the top sulfur layer at the initial position of Fe. Using scanning tunneling spectroscopy, we show that the STM tip can also induce two Jahn-Teller distorted states with reduced orbital symmetry in the sulfur vacancies. Density functional theory calculations rationalize our experimental results. Additionally, we provide evidence for molecule-like hybrid orbitals in artificially created sulfur vacancy dimers, which illustrates the potential of our technique for the development of extended defect lattices and tailored electronic band structures.

20 pages, 14 figures

References in corpus (6)

• How Substitutional Point Defects in Two-Dimensional WS${}_2$ Induce Charge Localization, Spin-Orbit Splitting, and Strain
• Stability of charged sulfur vacancies in 2D and bulk MoS${}_2$ from plane-wave density functional theory with electrostatic corrections
• Band Bending and Valence Band Quantization at Line Defects in MoS${}_2$
• Comprehensive tunneling spectroscopy of quasi-freestanding MoS${}_2$ on graphene on Ir(111)
• Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS2 monolayers
• Electronic and magnetic properties of single chalcogen vacancies in MoS${}_2$/Au(111)

Cited by in corpus (1)

• Creation and Microscopic Origins of Single-Photon Emitters in Transition Metal Dichalcogenides and Hexagonal Boron Nitride