Journal Article FZJ-2021-03699

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Moiré, Euler and self-similarity – the lattice parameters of twisted hexagonal crystals



2021
Blackwell Oxford [u.a.]

Acta crystallographica / A 77(5), 460 - 471 () [10.1107/S2053273321007245]

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Abstract: A real-space approach for the calculation of the moiré lattice parameters for superstructures formed by a set of rotated hexagonal 2D crystals such as graphene or transition-metal dichalcogenides is presented. Apparent moiré lattices continuously form for all rotation angles, and their lattice parameter to a good approximation follows a hyperbolical angle dependence. Moiré crystals, i.e. moiré lattices decorated with a basis, require more crucial assessment of the commensurabilities and lead to discrete solutions and a non-continuous angle dependence of the moiré-crystal lattice parameter. In particular, this lattice parameter critically depends on the rotation angle, and continuous variation of the angle can lead to apparently erratic changes of the lattice parameter. The solutions form a highly complex pattern, which reflects number-theoretical relations between formation parameters of the moiré crystal. The analysis also provides insight into the special case of a 30° rotation of the constituting lattices, for which a dodecagonal quasicrystalline structure forms.

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Contributing Institute(s):
  1. Mikrostrukturforschung (PGI-5)
Research Program(s):
  1. 5353 - Understanding the Structural and Functional Behavior of Solid State Systems (POF4-535) (POF4-535)

Appears in the scientific report 2021
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Medline ; Creative Commons Attribution CC BY 4.0 ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; NationallizenzNationallizenz ; PubMed Central ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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 Record created 2021-09-29, last modified 2024-06-10


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