Abstract
The band structures of the semiconducting layered compounds MoSe2, MoS2, and WSe2 have been calculated self-consistently with the augmented-spherical-wave method. Angle-resolved photoelectron spectroscopy of MoSe2 using He I, He II, and Ne I radiation, and photon-energy-dependent normal-emission photoelectron spectroscopy using synchrotron radiation, show that the calculational results give a good description of the valence-band structure. At about 1 eV below the top of the valence band a dispersionless state was measured, almost completely of Mo 4d character. Such a state, which is not predicted by band-structure calculations, has also been observed in metallic layered compounds. Suggestions are given for the explanation of this phenomenon.
Keywords
Valence (chemistry)SpectroscopyPhysicsSynchrotron radiationElectronic band structureElectronic structureCrystallographyMaterials scienceAtomic physicsCondensed matter physicsOpticsChemistryQuantum mechanics
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Publication Info
- Year
- 1987
- Type
- article
- Volume
- 35
- Issue
- 12
- Pages
- 6195-6202
- Citations
- 549
- Access
- Closed
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Cite This
R. Coehoorn,
C. Haas,
J. Dijkstra
et al.
(1987).
Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MoSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MoS</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">WSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>. I. Band-structure calculations and photoelectron spectroscopy.
Physical review. B, Condensed matter
, 35
(12)
, 6195-6202.
https://doi.org/10.1103/physrevb.35.6195
Identifiers
- DOI
- 10.1103/physrevb.35.6195