2020
DOI: 10.1021/acs.nanolett.9b05117
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Moiré Flat Bands in Twisted Double Bilayer Graphene

Abstract: We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable energy gap at the charge point neutrality that we assign to the intrinsic symmetric polarization (ISP). We then introduce the ISP effect into the tight-binding parameterization and perform calculations on TDBG models that include lattice relaxation effects down to very small tw… Show more

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Cited by 149 publications
(120 citation statements)
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“…The electronic structure of small magic angle twisted bilayer graphene features four flat bands lying around the Fermi level, with band splitting at the point of the Brillouin zone of the emergent moiré superlattice [10,42]. Density functional theory (DFT) calculations have shown results consistent with those effective models in twisted graphene multilayers, yet quantitative modifications are observed when including relaxation of the atomic coordinates [29,30,[43][44][45] and crystal-field effects [34,46]. Therefore, to benchmark the electronic properties of twisted graphene multilayers, it is essential to start from a correct description that takes into account the geometric corrugation and ab initio electrostatics of the moiré system.…”
Section: Electronic Structure Of Twisted Trilayer Graphenementioning
confidence: 99%
“…The electronic structure of small magic angle twisted bilayer graphene features four flat bands lying around the Fermi level, with band splitting at the point of the Brillouin zone of the emergent moiré superlattice [10,42]. Density functional theory (DFT) calculations have shown results consistent with those effective models in twisted graphene multilayers, yet quantitative modifications are observed when including relaxation of the atomic coordinates [29,30,[43][44][45] and crystal-field effects [34,46]. Therefore, to benchmark the electronic properties of twisted graphene multilayers, it is essential to start from a correct description that takes into account the geometric corrugation and ab initio electrostatics of the moiré system.…”
Section: Electronic Structure Of Twisted Trilayer Graphenementioning
confidence: 99%
“…The most recent member of the family of strongly correlated graphene superlattice systems is twisted double bilayer graphene [51][52][53], where two individually aligned ABstacked graphene bilayers are twisted with respect to one another. As theoretical calculations show [54][55][56][57][58][59][60], flat electronic bands can be realized by tuning the twist angle and a vertical electric field. Similar to the above-mentioned graphene moiré systems, both correlated insulating [51][52][53] and superconducting [51,52] phases are observed in experiment.…”
Section: Introductionmentioning
confidence: 99%
“…In particular, effectively 2D heterostructures consisting of flat sheets of graphene, transition metal dichalcogenides, and hexagonal boron nitride have been successful candidates for the moiré-induced correlated phenomena. [13][14][15][16][17][18][19][20][21][22][23] Recent experimental progress in studying correlations in multilayer heterostructures with more than two twisted graphene layers 13, 24-26 has led to a search for novel multilayer platforms with a particular focus on the trilayer geometry. 14,[27][28][29][30] In this work, we provide a detailed ab initio study of a unique extension of the TBG system: the twisted graphene sandwich (Fig.…”
mentioning
confidence: 99%