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1 PublicationImplementing electronic signatures of graphene and hexagonal boron nitride in twisted bilayer molybdenum disulfide
Arnold, F. M.; Ghasemifard, A.; Kuc, A. B.; Heine, T.
Abstract
Angeli and MacDonald reported a superlattice-imposed Dirac band in twisted bilayer molybdenum disulphide (tBL MoS2) for small twist angles towards the R_h^M (parallel) stacking. Using a hierarchical set of theoretical methods, we show that the superlattices differ for twist angles with respect to metastable R_h^M (0°) and lowest-energy H_h^h (60°) configurations. When approaching R_h^M stacking, identical domains with opposite spatial orientation emerge. They form a honeycomb superlattice, yielding Dirac bands and a lateral spin texture distribution with opposite-spin-occupied K and K’ valleys. Small twist angles towards the H_h^h configuration (60°) generate H_h^h and H_h^X stacking domains of different relative energies and, hence, different spatial extensions. This imposes a symmetry break in the moiré cell, which opens a gap between the two top-valence bands, which become flat already for relatively small moiré cells. The superlattices impose electronic superstructures resembling graphene and hexagonal boron nitride into trivial semiconductor MoS2.
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Data publication: Implementing electronic signatures of graphene and hexagonal …
ROBIS: 37274 HZDR-primary research data are used by this (Id 37273) publication
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Materials Today 73(2024), 96-104
DOI: 10.1016/j.mattod.2024.01.012
Cited 1 times in Scopus
Permalink: https://www.hzdr.de/publications/Publ-37273