Hexagonal boron nitride is an indirect band gap material with a strong luminescence in the ultraviolet. This luminescence originates from bound excitons recombination assisted by different phonon modes. The coupling between excitons and phonons is so strong that the resulting light emission is as efficient as the one of direct band gap materials. In this manuscript we investigate how uniaxial strain modifies the electronic and optical properties of this material, and in particular how it affects the exciton-phonon coupling. Using a formulation of this coupling based on finite-difference displacements, recently developed by some of us, we investigate how phonon-assisted transitions change under strain. Our results open the way to the study of phonon-assisted luminescence in strained materials from first principles. Our findings are important both for experiments that directly probe h-BN under strain or for those in which it is used as substrate for other 2D material with a lattice mismatch.

Excitons under strain: Light absorption and emission in strained hexagonal boron nitride

Paleari Fulvio;
2022

Abstract

Hexagonal boron nitride is an indirect band gap material with a strong luminescence in the ultraviolet. This luminescence originates from bound excitons recombination assisted by different phonon modes. The coupling between excitons and phonons is so strong that the resulting light emission is as efficient as the one of direct band gap materials. In this manuscript we investigate how uniaxial strain modifies the electronic and optical properties of this material, and in particular how it affects the exciton-phonon coupling. Using a formulation of this coupling based on finite-difference displacements, recently developed by some of us, we investigate how phonon-assisted transitions change under strain. Our results open the way to the study of phonon-assisted luminescence in strained materials from first principles. Our findings are important both for experiments that directly probe h-BN under strain or for those in which it is used as substrate for other 2D material with a lattice mismatch.
2022
Istituto Nanoscienze - NANO
Istituto Nanoscienze - NANO - Sede Secondaria Modena
Istituto di Struttura della Materia - ISM - Sede Secondaria Montelibretti
Inglese
12
5
034009-1
034009-14
14
https://arxiv.org/abs/2112.12417#:~:text=Excitons under strain: light absorption and emission in strained hexagonal boron nitride,-Pierre Lechifflart, Fulvio&text=Hexagonal boron nitride is an,assisted by different phonon modes.
Sì, ma tipo non specificato
BANDGAP TRANSITION
Internazionale
3
info:eu-repo/semantics/article
262
Lechifflart, Pierre; Paleari, Fulvio; Attaccalite, Claudio
01 Contributo su Rivista::01.01 Articolo in rivista
open
   Graphene-based disruptive technologies
   GrapheneCore1
   European Commission
   Horizon 2020 Framework Programme
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   Graphene Flagship Core Project 2
   GrapheneCore2
   European Commission
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   COST Action TUMIEE CA17126
   TUMIEE
   European Union
   COST (European Cooperation in Science and Technology)
   CA17126
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/444211
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