Theory of lattice relaxation in homobilayer twist moirés
ORAL
Abstract
Lattice relaxation in moiré materials can strongly modify the electronic moiré bands. This is especially true in moirés made from transition metal dichalcogenides (TMDs) for which relaxation is an order of magnitude stronger compared to graphene moirés. Here we present analytical results for relaxation in homobilayer twist moirés based on symmetry constraints and continuum elasticity. We focus on twist moirés with D6 and D3 stacking symmetry such as parallel and antiparallel stacked homobilayer TMDs, respectively. In particular, we consider both the perturbative regime (large twist angles) and the regime of domain formation (tiny twist angles). Our results agree well with numerical solutions and molecular dynamics simulations. Finally, we demonstrate how our theory yields expressions for the strain-induced pseudo gauge fields and modified moiré potentials in the presence of lattice relaxation.
*CDB and EJM are supported by the U.S. Department of Energy under Grant No. DE-FG02-84ER45118. MMAE, GNP, and SA acknowledge financial support from the Singapore National Research Foundation Investigator Award (NRF-NRFI06-2020-0003) and the Singapore Ministry of Education AcRF Tier 2 grant (MOE-T2EP50220-0016).
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Publication:Mohammed M. Al Ezzi, Gayani N. Pallewela, Christophe De Beule, E. J. Mele, and Shaffique Adam, Analytical Model for Atomic Relaxation in Twisted Moiré Materials (arXiv:2401.00498)
Christophe De Beule, Gayani N. Pallewela, Liangtao Peng, Mohammed M. Al Ezzi, E. J. Mele, and Shaffique Adam, Domain formation in twisted transition metal dichalcogenide bilayers (in preparation)
Christophe De Beule, Liangtao Peng, E. J. Mele, and Shaffique Adam, Lattice relaxation in homobilayer moirés (in preparation)
Presenters
Christophe De Beule
University of Pennsylvania
Authors
Christophe De Beule
University of Pennsylvania
Gayani Nadeera Pallewela
Natl Univ of Singapore
Mohammed M Al Ezzi
Harvard University and National University of Singapore