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Implementing electronic signatures of graphene and hexagonal boron nitride in twisted bilayer molybdenum disulfide

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Title
Implementing electronic signatures of graphene and hexagonal boron nitride in twisted bilayer molybdenum disulfide
Author(s)
Florian M. Arnold; Alireza Ghasemifard; Agnieszka Kuc; Thomas Heine
Publication Date
2024-03
Journal
Materials Today, v.73, pp.96 - 104
Publisher
Elsevier BV
Abstract
Angeli and MacDonald reported a superlattice-imposed Dirac band in twisted bilayer molybdenum disulphide (tBL MoS2) for small twist angles towards the RhM (parallel) stacking. Using a hierarchical set of theoretical methods, we show that the superlattices differ for twist angles with respect to metastable RhM (0°) and lowest-energy Hhh (60°) configurations. When approaching RhM 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 Hhh configuration (60°) generate Hhh and HhX 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.
URI
https://pr.ibs.re.kr/handle/8788114/15030
DOI
10.1016/j.mattod.2024.01.012
ISSN
1369-7021
Appears in Collections:
Center for Nanomedicine (나노의학 연구단) > 1. Journal Papers (저널논문)
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