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Strain-tunable orbital, spin-orbit, and optical properties of monolayer transition-metal dichalcogenides

URN to cite this document:
Zollner, Klaus ; Faria Junior, Paulo E. ; Fabian, Jaroslav
Date of publication of this fulltext: 18 Dec 2019 14:00


When considering transition-metal dichalcogenides (TMDCs) in van der Waals heterostructures for periodic ab initio calculations, usually, lattice mismatch is present, and the TMDC needs to be strained. In this study we provide a systematic assessment of biaxial strain effects on the orbital, spin-orbit, and optical properties of the monolayer TMDCs using ab initio calculations. We complement our ...


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