Delocalization\nof Quasiparticle Moire States\nin Twisted Bilayer hBN

Twisted bilayers host many emergent phenomena in which\nthe electronic\nexcitations (quasiparticles, QPs) are closely intertwined with the\nlocal stacking order. By inspecting twisted hexagonal boron nitride\n(t-hBN), we show that nonlocal long-range interactions in large twisted\nsystems cannot be reliably described by the local (high-symmetry)\nstacking and that the band gap variation (typically associated with\nthe moiré excitonic potential) shows multiple minima with variable\ndepth depending on the twist angle. We investigate twist angles of\n2.45°, 2.88°, 3.48°, and 5.09° using the GW approximation\ntogether with stochastic compression to analyze the QP state interactions.\nWe find that band-edge QP hybridization is suppressed for intermediate\nangles that exhibit two distinct local minima in the moiré\npotential (at AA region and saddle point (SP)) which become degenerate\nfor the largest system (2.45°).

Publication Details

Journal
Figshare
Published
2024-09-16
DOI
https://doi.org/10.1021/acs.nanolett.4c03030.s001
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
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article

Delocalization\nof Quasiparticle Moire States\nin Twisted Bilayer hBN

Figshare
2D Materials and Applications
article

Delocalization\nof Quasiparticle Moire States\nin Twisted Bilayer hBN

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Abstract

Twisted bilayers host many emergent phenomena in which\nthe electronic\nexcitations (quasiparticles, QPs) are closely intertwined with the\nlocal stacking order. By inspecting twisted hexagonal boron nitride\n(t-hBN), we show that nonlocal long-range interactions in large twisted\nsystems cannot be reliably described by the local (high-symmetry)\nstacking and that the band gap variation (typically associated with\nthe moiré excitonic potential) shows multiple minima with variable\ndepth depending on the twist angle. We investigate twist angles of\n2.45°, 2.88°, 3.48°, and 5.09° using the GW approximation\ntogether with stochastic compression to analyze the QP state interactions.\nWe find that band-edge QP hybridization is suppressed for intermediate\nangles that exhibit two distinct local minima in the moiré\npotential (at AA region and saddle point (SP)) which become degenerate\nfor the largest system (2.45°).

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2D Materials and Applications
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