Multiscale Lattice Relaxation in General Twisted Trilayer Graphenes

We present comprehensive theoretical studies on the lattice relaxation and the electronic structures in general nonsymmetric twisted trilayer graphenes. By using an effective continuum model, we show that the relaxed lattice structure forms a patchwork of moiré-of-moiré domains, where a moiré patter...

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Main Authors: Naoto Nakatsuji, Takuto Kawakami, Mikito Koshino
Format: Article
Language:English
Published: American Physical Society 2023-10-01
Series:Physical Review X
Online Access:http://doi.org/10.1103/PhysRevX.13.041007
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author Naoto Nakatsuji
Takuto Kawakami
Mikito Koshino
author_facet Naoto Nakatsuji
Takuto Kawakami
Mikito Koshino
author_sort Naoto Nakatsuji
collection DOAJ
description We present comprehensive theoretical studies on the lattice relaxation and the electronic structures in general nonsymmetric twisted trilayer graphenes. By using an effective continuum model, we show that the relaxed lattice structure forms a patchwork of moiré-of-moiré domains, where a moiré pattern given by layer 1 and 2 and another pattern given by layer 2 and 3 become locally commensurate. The atomic configuration inside the domain exhibits a distinct contrast between chiral and alternating stacks, which are determined by the relative signs of the two twist angles. In the chiral case, the electronic band calculation reveals a wide energy window (>50  meV) with low density of states, featuring sparsely distributed highly one-dimensional electron bands. These one-dimensional states exhibit a sharp localization at the boundaries between supermoiré domains, and they are identified as a topological boundary state between distinct Chern insulators. The alternating trilayer exhibits a coexistence of the flat bands and a monolayerlike Dirac cone, and it is attributed to the formation of moiré-of-moiré domains equivalent to the mirror-symmetric twisted trilayer graphene.
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spelling doaj.art-dbe978a7fcc94dfc829cf4a592d728da2023-10-10T15:42:01ZengAmerican Physical SocietyPhysical Review X2160-33082023-10-0113404100710.1103/PhysRevX.13.041007Multiscale Lattice Relaxation in General Twisted Trilayer GraphenesNaoto NakatsujiTakuto KawakamiMikito KoshinoWe present comprehensive theoretical studies on the lattice relaxation and the electronic structures in general nonsymmetric twisted trilayer graphenes. By using an effective continuum model, we show that the relaxed lattice structure forms a patchwork of moiré-of-moiré domains, where a moiré pattern given by layer 1 and 2 and another pattern given by layer 2 and 3 become locally commensurate. The atomic configuration inside the domain exhibits a distinct contrast between chiral and alternating stacks, which are determined by the relative signs of the two twist angles. In the chiral case, the electronic band calculation reveals a wide energy window (>50  meV) with low density of states, featuring sparsely distributed highly one-dimensional electron bands. These one-dimensional states exhibit a sharp localization at the boundaries between supermoiré domains, and they are identified as a topological boundary state between distinct Chern insulators. The alternating trilayer exhibits a coexistence of the flat bands and a monolayerlike Dirac cone, and it is attributed to the formation of moiré-of-moiré domains equivalent to the mirror-symmetric twisted trilayer graphene.http://doi.org/10.1103/PhysRevX.13.041007
spellingShingle Naoto Nakatsuji
Takuto Kawakami
Mikito Koshino
Multiscale Lattice Relaxation in General Twisted Trilayer Graphenes
Physical Review X
title Multiscale Lattice Relaxation in General Twisted Trilayer Graphenes
title_full Multiscale Lattice Relaxation in General Twisted Trilayer Graphenes
title_fullStr Multiscale Lattice Relaxation in General Twisted Trilayer Graphenes
title_full_unstemmed Multiscale Lattice Relaxation in General Twisted Trilayer Graphenes
title_short Multiscale Lattice Relaxation in General Twisted Trilayer Graphenes
title_sort multiscale lattice relaxation in general twisted trilayer graphenes
url http://doi.org/10.1103/PhysRevX.13.041007
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AT takutokawakami multiscalelatticerelaxationingeneraltwistedtrilayergraphenes
AT mikitokoshino multiscalelatticerelaxationingeneraltwistedtrilayergraphenes