Abstract

This dataset contains the Quantum Espresso input files and pseudopotentials to reproduce thecalculations of the electronic structure of the heterostructure 2H-MoSe2/WSe2.

Keywords

HeterojunctionCondensed matter physicsExcitonStackingSpin (aerodynamics)Materials scienceMonolayerBilayervan der Waals forceQuantum dotQuantum wellPhysicsNanotechnologyOpticsChemistryQuantum mechanicsLaserMolecule

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Related Publications

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>. II. The nature of the optical band gaps

R. Coehoorn , C. Haas , R. A. de Groot

From band-structure calculations it is shown that MoSe2, MoS2, and WSe2 are indirect-gap semiconductors. The top of the valence band is at the Γ point and the bottom of the cond...

1987 Physical review. B, Condensed matter 403 citations

Publication Info

Year
2025
Type
article
Citations
37
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Cite This

Mauro Brotons‐Gisbert, Hyeonjun Baek, Alejandro Molina‐Sánchez et al. (2025). Dataset of the article "Spin–layer locking of interlayer excitons trapped in moiré potentials". Zenodo (CERN European Organization for Nuclear Research) . https://doi.org/10.5281/zenodo.17909230

Identifiers

DOI
10.5281/zenodo.17909230