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Updated: Jun 27, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Moiré band renormalization due to lattice mismatch in bilayer graphene
Xingchuan Zhu1, Junsong Sun2, Shiping Feng3
1Interdisciplinary Center for Fundamental and Frontier Sciences, Nanjing University of Science and Technology, Jiangyin, Jiangsu 214443, People's Republic of China.
Abstract:
We investigated the band renormalization caused by the compressive-strain-induced lattice mismatch in parallel AA stacked bilayer graphene using two complementary methods: the tight-binding approach and the low-energy continuum theory. While a large mismatch does not alter the low-energy bands, a small one reduces the bandwidth of the low-energy bands along with a decrease in the Fermi velocity. In the tiny-mismatch regime, the low-energy continuum theory reveals that the long-period moiré pattern extensively renormalizes the low-energy bands, resulting in a significant reduction of bandwidth. Meanwhile, the Fermi velocity exhibits an oscillatory behavior and approaches zero at specific mismatches. However, the resulting low-energy bands are not perfectly isolated flat, as seen in twisted bilayer graphene at magic angles. These findings provide a deeper understanding of moiré physics and offer valuable guidance for related experimental studies in creating moiré superlattices using two-dimensional van der Waals heterostructures.
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