Related Experiment Video
Updated: Jun 13, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Delocalization of Quasiparticle Moiré States in Twisted Bilayer hBN
Arsineh Apelian1, Annabelle Canestraight2, Songyuan Liu3
1Materials Department, University of California, Santa Barbara, California 93106-9510, United States.
Abstract:
Twisted bilayers host many emergent phenomena in which the electronic excitations (quasiparticles, QPs) are closely intertwined with the local stacking order. By inspecting twisted hexagonal boron nitride (t-hBN), we show that nonlocal long-range interactions in large twisted systems cannot be reliably described by the local (high-symmetry) stacking and that the band gap variation (typically associated with the moiré excitonic potential) shows multiple minima with variable depth depending on the twist angle. We investigate twist angles of 2.45°, 2.88°, 3.48°, and 5.09° using the GW approximation together with stochastic compression to analyze the QP state interactions. We find that band-edge QP hybridization is suppressed for intermediate angles that exhibit two distinct local minima in the moiré potential (at AA region and saddle point (SP)) which become degenerate for the largest system (2.45°).
More Related Videos
Related Concept Videos
Atomic Nuclei: Nuclear Spin State Overview
Spin–Spin Coupling Constant: Overview
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
IR Absorption Frequency: Delocalization
In IR...
Molecular Orbital Theory II
Hybridization of Atomic Orbitals I
VSEPR Theory and the Effect of Lone Pairs

