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Electronic structure of epitaxial single-layer MoS2.

Jill A Miwa1, Søren Ulstrup1, Signe G Sørensen1

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Physical Review Letters
|February 14, 2015
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Potassium doping of single-layer molybdenum disulfide (MoS2) on gold reveals a direct band gap of 1.39 eV. This doping also distorts the electronic band structure, enabling band engineering in these transition metal dichalcogenides.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Surface Science

Background:

  • Molybdenum disulfide (MoS2) is a key transition metal dichalcogenide with tunable electronic properties.
  • Epitaxial growth of single-layer MoS2 on surfaces like Au(111) is crucial for device applications.
  • Understanding the electronic band structure is essential for harnessing MoS2's potential.

Purpose of the Study:

  • To investigate the electronic structure of epitaxial single-layer MoS2 on Au(111).
  • To explore the effects of potassium doping on the MoS2 band structure.
  • To assess the influence of moiré superstructure and spin-orbit interaction.

Main Methods:

  • Angle-resolved photoemission spectroscopy (ARPES) was employed.
  • Pristine and potassium-doped single-layer MoS2 on Au(111) were analyzed.
  • Experimental results were compared with theoretical calculations.

Main Results:

  • Potassium doping yielded a direct band gap of (1.39±0.05) eV at the K point.
  • The valence band maximum was observed at the Γ point with higher binding energy than at K.
  • Spin-orbit interaction lifted the degeneracy of the upper valence band at K, causing a splitting of (145±4) meV.
  • The moiré superstructure did not introduce observable replica bands or minigaps.
  • Potassium doping induced both a rigid shift and a distortion in the band structure.

Conclusions:

  • Potassium doping effectively tunes the electronic band structure of single-layer MoS2.
  • The observed band splitting due to spin-orbit interaction aligns with theoretical predictions.
  • Band structure engineering in MoS2 via doping offers pathways for novel electronic device functionalities.