Full Slonczewski-Weiss-McClure parametrization of few-layer twistronic graphene

Garcia-Ruiz, Aitor, Deng, Hai-Yao ORCID: https://orcid.org/0000-0001-6065-483X, Enaldiev, Vladimir V. and Fal'ko, Vladimir I. 2021. Full Slonczewski-Weiss-McClure parametrization of few-layer twistronic graphene. Physical Review B 104 (8) , 085402. 10.1103/PhysRevB.104.085402

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Abstract

We use a hybrid k ⋅ p -theory–tight-binding (HkpTB) model to describe interlayer coupling simultaneously in both Bernal and twisted graphene structures. For Bernal-aligned interfaces, the HkpTB model is parametrized using the full Slonczewski-Weiss-McClure (SWMcC) Hamiltonian of graphite [E. McCann and M. Koshino, Rep. Prog. Phys. 76, 5 (2013)], which is then used to refine the commonly used Bistritzer-MacDonald model for twisted interfaces [J. M. B. Lopes dos Santos et al., Phys. Rev. Lett. 99, 256802 (2007); R. Bistritzer and A. H. MacDonald, Proc. Natl. Acad. Sci. USA 108, 12233 (2011)], by deriving additional terms that reflect all the details of the full SWMcC model of graphite. We find that these terms introduce electron-hole asymmetry in the band structure of twisted bilayers but in twistronic multilayer graphene they produce only a subtle change in moiré miniband spectra, confirming the broad applicability of the BM model for implementing the twisted interface coupling in such systems.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Physics and Astronomy
Publisher:	American Physical Society
ISSN:	2469-9950
Date of First Compliant Deposit:	20 August 2021
Date of Acceptance:	20 July 2021
Last Modified:	19 Nov 2023 06:50
URI:	https://orca.cardiff.ac.uk/id/eprint/143569

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