Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration

Gi Wan Jeon, Kyu Won Lee, Cheol Eui Lee

Research output: Contribution to journalArticle

1 Citation (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 languageEnglish
Pages (from-to)309-313
Number of pages5
JournalPhysica E: Low-Dimensional Systems and Nanostructures
Volume104
DOIs
Publication statusPublished - 2018 Oct 1

Fingerprint

Ferromagnetism
ferromagnetism
Hydrogen
Monolayers
Adsorption
adsorption
hydrogen
Atoms
Magnetism
Sulfur
Density functional theory
atoms
low concentrations
sulfur
density functional theory
Electrons
rings
electrons

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

Cite this

Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration. / Jeon, Gi Wan; Lee, Kyu Won; Lee, Cheol Eui.

In: Physica E: Low-Dimensional Systems and Nanostructures, Vol. 104, 01.10.2018, p. 309-313.

Research output: Contribution to journalArticle

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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.

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