Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration

Gi Wan Jeon; Kyu Won Lee; Cheol Eui Lee

doi:10.1016/j.physe.2018.08.004

Ferromagnetism in monolayer MoS₂ dictated by hydrogen adsorption sites and concentration

Gi Wan Jeon, Kyu Won Lee, Cheol Eui Lee

Department of Physics

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

We show that hydrogen-induced magnetism in monolayer MoS₂ is dictated by the hydrogen adsorption sites and concentration by using density functional theory calculations. Hydrogen adsorbed at the center of the hexagonal ring leads to an itinerant ferromagnetism at relatively high concentrations, whereas hydrogen adsorbed on sulfur leads to a flat-band ferromagnetism at a relatively low concentration. The electrons in the non-metallic flat-band ferromagnetism are equally distributed on hydrogen and nearby Mo and S atoms, in contrast to the non-magnetic case where they are concentrated on the nearby Mo atoms.

Original language	English
Pages (from-to)	309-313
Number of pages	5
Journal	Physica E: Low-Dimensional Systems and Nanostructures
Volume	104
DOIs	https://doi.org/10.1016/j.physe.2018.08.004
Publication status	Published - 2018 Oct

Bibliographical note

Funding Information:
This work was supported by the National Research Foundation of Korea (Project Nos. 2016R1D1A1A09917003 and 2016R1D1A1B03931144 ).

Publisher Copyright:
© 2018 Elsevier B.V.

Keywords

DFT calculations
Ferromagnetism
Hydrogen adsorption
Monolayer MoS

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Condensed Matter Physics

Access to Document

10.1016/j.physe.2018.08.004

Cite this

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title = "Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration",

abstract = "We show that hydrogen-induced magnetism in monolayer MoS2 is dictated by the hydrogen adsorption sites and concentration by using density functional theory calculations. Hydrogen adsorbed at the center of the hexagonal ring leads to an itinerant ferromagnetism at relatively high concentrations, whereas hydrogen adsorbed on sulfur leads to a flat-band ferromagnetism at a relatively low concentration. The electrons in the non-metallic flat-band ferromagnetism are equally distributed on hydrogen and nearby Mo and S atoms, in contrast to the non-magnetic case where they are concentrated on the nearby Mo atoms.",

keywords = "DFT calculations, Ferromagnetism, Hydrogen adsorption, Monolayer MoS",

author = "Jeon, {Gi Wan} and Lee, {Kyu Won} and Lee, {Cheol Eui}",

note = "Funding Information: This work was supported by the National Research Foundation of Korea (Project Nos. 2016R1D1A1A09917003 and 2016R1D1A1B03931144 ). Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

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doi = "10.1016/j.physe.2018.08.004",

language = "English",

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T1 - Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration

AU - Jeon, Gi Wan

AU - Lee, Kyu Won

AU - Lee, Cheol Eui

PY - 2018/10

Y1 - 2018/10

N2 - We show that hydrogen-induced magnetism in monolayer MoS2 is dictated by the hydrogen adsorption sites and concentration by using density functional theory calculations. Hydrogen adsorbed at the center of the hexagonal ring leads to an itinerant ferromagnetism at relatively high concentrations, whereas hydrogen adsorbed on sulfur leads to a flat-band ferromagnetism at a relatively low concentration. The electrons in the non-metallic flat-band ferromagnetism are equally distributed on hydrogen and nearby Mo and S atoms, in contrast to the non-magnetic case where they are concentrated on the nearby Mo atoms.

AB - We show that hydrogen-induced magnetism in monolayer MoS2 is dictated by the hydrogen adsorption sites and concentration by using density functional theory calculations. Hydrogen adsorbed at the center of the hexagonal ring leads to an itinerant ferromagnetism at relatively high concentrations, whereas hydrogen adsorbed on sulfur leads to a flat-band ferromagnetism at a relatively low concentration. The electrons in the non-metallic flat-band ferromagnetism are equally distributed on hydrogen and nearby Mo and S atoms, in contrast to the non-magnetic case where they are concentrated on the nearby Mo atoms.

KW - DFT calculations

KW - Ferromagnetism

KW - Hydrogen adsorption

KW - Monolayer MoS

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DO - 10.1016/j.physe.2018.08.004

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JO - Physica E: Low-Dimensional Systems and Nanostructures

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