2012
DOI: 10.1103/physrevb.86.115105
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Band-gap expansion in the surface-localized electronic structure of MoS2(0002)

Abstract: The electronic band structure of MoS 2 single crystals has been investigated using angle-resolved photoelectron spectroscopy and first-principles calculations. The orbital symmetry and k dispersion of these electronic states responsible for the direct and the indirect electronic band gaps have been unambiguously determined. By experimentally probing an increase of the electronic band gap, we conclude that a MoS 2 (0002) surface localized state exists just below the valence band maximum at the point. This elect… Show more

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Cited by 49 publications
(35 citation statements)
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References 31 publications
(46 reference statements)
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“…The VBS plot of the bare MoS 2 presents a VB maximum (VBM) peaked at Γ point and 0.89 eV far from the Fermi level. The main features in the VBS plot descend from S 3 p orbitals because the adopted photon energy h ν = 100 eV nearly corresponds to the Cooper minimum of Mo 4 d electrons; nonetheless, the observed VBM can be related to Mo 4 d z 2 orbitals as previously argued . A VB edge of 0.49 eV from the Fermi level ( E F ) was linearly extrapolated from the line profile of the VBS plot in Figure c, bottom panel.…”
Section: Electronic Band Alignment At the Si/mos2 Heterosheet Interfacementioning
confidence: 81%
“…The VBS plot of the bare MoS 2 presents a VB maximum (VBM) peaked at Γ point and 0.89 eV far from the Fermi level. The main features in the VBS plot descend from S 3 p orbitals because the adopted photon energy h ν = 100 eV nearly corresponds to the Cooper minimum of Mo 4 d electrons; nonetheless, the observed VBM can be related to Mo 4 d z 2 orbitals as previously argued . A VB edge of 0.49 eV from the Fermi level ( E F ) was linearly extrapolated from the line profile of the VBS plot in Figure c, bottom panel.…”
Section: Electronic Band Alignment At the Si/mos2 Heterosheet Interfacementioning
confidence: 81%
“…Figure shows the comparison of the ARPES data on graphite, where only the TiSe 2 bands are visible in the measured energy and momentum windows, with the ARPES data on MoS 2 . This comparison, together with the known bands for MoS 2 allows an easy identifications of the MoS 2 bands. Since MoS 2 is a wide band gap semiconductor, the states close to the Fermi level are not influenced by the MoS 2 bands.…”
Section: Resultsmentioning
confidence: 99%
“…a) show similar characteristic peaks, before and after hydrogenation (for different doses), that are related to MoS 2 37. The shifts of hydrogenated MoS 2 shown inFigure 3(b) are caused by the rigid energy shift of all core-levels.…”
mentioning
confidence: 83%