Excitons under strain: light absorption and emission in strained hexagonal boron nitride
arXiv:2112.12417 · doi:10.21468/SciPostPhys.12.5.145
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 \hbn under strain or for those in which it is used as substrate for other 2D material with a lattice mismatch.
References in corpus (14)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Hexagonal boron nitride is an indirect bandgap semiconductor
- Many-body perturbation theory calculations using the yambo code
- Biaxial strain tuning of the optical properties of single-layer transition metal dichalcogenides
- Bright luminescence from indirect and strongly bound excitons in hBN
- Exciton-Phonon Interaction and Relaxation Times from First Principles
- Strain engineering in single-, bi- and tri-layer MoS2, MoSe2, WS2 and WSe2
- Exciton-phonon coupling in the UV absorption and emission spectra of bulk hexagonal boron nitride
- Theory of phonon-assisted luminescence in solids: application to hexagonal boron nitride
- Exciton-phonon interaction in the strong coupling regime in hexagonal boron nitride
- Exploring approximations to the GW self-energy ionic gradients
- Strongly anisotropic strain-tunability of excitons in exfoliated ZrSe
- Two-photon absorption in two-dimensional materials: The case of hexagonal boron nitride
- Exciton interference in hexagonal boron nitride
Cited by in corpus (5)
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- Pressure Dependence of Electronic, Vibrational and Optical Properties of wurtzite-Boron Nitride
- Phonon assisted light absorption and emission in cubic-Boron Nitride
- Phonon-assisted photoluminescence of bilayer MoS from first principles
- Solvers for the Hermitian and the pseudo-Hermitian Bethe-Salpeter equation in the Yambo code: Implementation and Performance