Unconventional nonlinear Hall effects in twisted multilayer 2D materials

Abstract We present the first investigation of unusual nonlinear Hall effects in twisted multilayer 2D materials. Contrary to expectations, our study shows that these nonlinear effects are not merely extensions of their monolayer counterparts. Instead, we find that stacking order and pairwise intera...

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Main Authors: Mahmut Sait Okyay, Min Choi, Qiang Xu, Adrián Perez Diéguez, Mauro Del Ben, Khaled Z. Ibrahim, Bryan M. Wong
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:npj 2D Materials and Applications
Online Access:https://doi.org/10.1038/s41699-024-00520-6
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author Mahmut Sait Okyay
Min Choi
Qiang Xu
Adrián Perez Diéguez
Mauro Del Ben
Khaled Z. Ibrahim
Bryan M. Wong
author_facet Mahmut Sait Okyay
Min Choi
Qiang Xu
Adrián Perez Diéguez
Mauro Del Ben
Khaled Z. Ibrahim
Bryan M. Wong
author_sort Mahmut Sait Okyay
collection DOAJ
description Abstract We present the first investigation of unusual nonlinear Hall effects in twisted multilayer 2D materials. Contrary to expectations, our study shows that these nonlinear effects are not merely extensions of their monolayer counterparts. Instead, we find that stacking order and pairwise interactions between neighboring layers, mediated by Berry curvatures, play a pivotal role in shaping their collective nonlinear optical response. By combining large-scale Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) simulations with model Hamiltonian analyses, we demonstrate a remarkable second-harmonic transverse response in hexagonal boron nitride four-layers, even in cases where the total Berry curvature cancels out. Furthermore, our symmetry analysis of the layered structures provides a simplified framework for predicting nonlinear responses in multilayer materials in general. Our investigation challenges the prevailing understanding of nonlinear optical responses in layered materials and opens new avenues for the design and development of advanced materials with tailored optical properties.
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publishDate 2025-01-01
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spelling doaj-art-c2d7e879f958469eb6a2316a18de28792025-01-12T12:26:04ZengNature Portfolionpj 2D Materials and Applications2397-71322025-01-019111010.1038/s41699-024-00520-6Unconventional nonlinear Hall effects in twisted multilayer 2D materialsMahmut Sait Okyay0Min Choi1Qiang Xu2Adrián Perez Diéguez3Mauro Del Ben4Khaled Z. Ibrahim5Bryan M. Wong6Department of Chemistry, Department of Physics & Astronomy, and Materials Science & Engineering Program, University of California-RiversideDepartment of Chemistry, Department of Physics & Astronomy, and Materials Science & Engineering Program, University of California-RiversideDepartment of Chemistry, Department of Physics & Astronomy, and Materials Science & Engineering Program, University of California-RiversideApplied Mathematics & Computational Research Division, Lawrence Berkeley National LaboratoryApplied Mathematics & Computational Research Division, Lawrence Berkeley National LaboratoryApplied Mathematics & Computational Research Division, Lawrence Berkeley National LaboratoryDepartment of Chemistry, Department of Physics & Astronomy, and Materials Science & Engineering Program, University of California-RiversideAbstract We present the first investigation of unusual nonlinear Hall effects in twisted multilayer 2D materials. Contrary to expectations, our study shows that these nonlinear effects are not merely extensions of their monolayer counterparts. Instead, we find that stacking order and pairwise interactions between neighboring layers, mediated by Berry curvatures, play a pivotal role in shaping their collective nonlinear optical response. By combining large-scale Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) simulations with model Hamiltonian analyses, we demonstrate a remarkable second-harmonic transverse response in hexagonal boron nitride four-layers, even in cases where the total Berry curvature cancels out. Furthermore, our symmetry analysis of the layered structures provides a simplified framework for predicting nonlinear responses in multilayer materials in general. Our investigation challenges the prevailing understanding of nonlinear optical responses in layered materials and opens new avenues for the design and development of advanced materials with tailored optical properties.https://doi.org/10.1038/s41699-024-00520-6
spellingShingle Mahmut Sait Okyay
Min Choi
Qiang Xu
Adrián Perez Diéguez
Mauro Del Ben
Khaled Z. Ibrahim
Bryan M. Wong
Unconventional nonlinear Hall effects in twisted multilayer 2D materials
npj 2D Materials and Applications
title Unconventional nonlinear Hall effects in twisted multilayer 2D materials
title_full Unconventional nonlinear Hall effects in twisted multilayer 2D materials
title_fullStr Unconventional nonlinear Hall effects in twisted multilayer 2D materials
title_full_unstemmed Unconventional nonlinear Hall effects in twisted multilayer 2D materials
title_short Unconventional nonlinear Hall effects in twisted multilayer 2D materials
title_sort unconventional nonlinear hall effects in twisted multilayer 2d materials
url https://doi.org/10.1038/s41699-024-00520-6
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