Mirror symmetry breaking and lateral stacking shifts in twisted trilayer graphene

Lei, Chao; Linhart, Lukas; Qin, Wei; Libisch, Florian; MacDonald, Allan H.

doi:10.1103/physrevb.104.035139

Mirror symmetry breaking and lateral stacking shifts in twisted trilayer graphene

Journal Article · Mon Jul 19 00:00:00 EDT 2021 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.104.035139· OSTI ID:1849403

^[1]; ^[2]; Qin, Wei ^[3]; ^[4]; MacDonald, Allan H. ^[3]

Univ. of Texas, Austin, TX (United States); OSTI
Univ. of Texas, Austin, TX (United States); Vienna Univ. of Technology (Austria)
Univ. of Texas, Austin, TX (United States)
Vienna Univ. of Technology (Austria)

Here, we construct a continuum model of twisted trilayer graphene using ab initio density-functional-theory calculations, and we apply it to address twisted trilayer electronic structure. Our model accounts for moiré variation in site energies, hopping between outside layers, and hopping within layers. We focus on the role of a mirror symmetry present in ABA graphene trilayers with a middle layer twist. The mirror symmetry is lost intentionally when a displacement field is applied between layers, and unintentionally when the top layer is shifted laterally relative to the bottom layer. We calculate two band-structure characteristics that are directly relevant to transport measurements, namely the Drude weight and the weak-field Hall conductivity. We relate them via the Hall density to assess the influence of the accidental lateral stacking shifts currently present in all experimental devices on electronic properties. Finally, we comment on the role of the possible importance of accidental lateral stacking shifts for superconductivity in twisted trilayers.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Texas, Austin, TX (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: FG02-02ER45958

OSTI ID:: 1849403

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 3 Vol. 104; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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