Tip-induced creation and Jahn-Teller distortions of sulfur vacancies in single-layer MoS$_{2}$

Fuente: arXiv
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Main Authors: Jansen, Daniel, Tounsi, Tfyeche, Fischer, Jeison, Krasheninnikov, Arkady V., Michely, Thomas, Komsa, Hannu-Pekka, Jolie, Wouter
Format: Preprint
Published: 2024
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author Jansen, Daniel
Tounsi, Tfyeche
Fischer, Jeison
Krasheninnikov, Arkady V.
Michely, Thomas
Komsa, Hannu-Pekka
Jolie, Wouter
author_facet Jansen, Daniel
Tounsi, Tfyeche
Fischer, Jeison
Krasheninnikov, Arkady V.
Michely, Thomas
Komsa, Hannu-Pekka
Jolie, Wouter
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2401_09931
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Tip-induced creation and Jahn-Teller distortions of sulfur vacancies in single-layer MoS$_{2}$
Jansen, Daniel
Tounsi, Tfyeche
Fischer, Jeison
Krasheninnikov, Arkady V.
Michely, Thomas
Komsa, Hannu-Pekka
Jolie, Wouter
Materials Science
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.
title Tip-induced creation and Jahn-Teller distortions of sulfur vacancies in single-layer MoS$_{2}$
topic Materials Science
url https://arxiv.org/abs/2401.09931