Effect of uniaxial strain on the excitonic properties of monolayer 
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: A symmetry-based analysis

Zanfrognini, Matteo; Spallanzani, Nicola; Bonacci, Miki; Molinari, Elisa; Ruini, Alice; Caldas, M. J.; Ferretti, Andrea; Varsano, Daniele

doi:10.1103/physrevb.107.045430

Cited by 2 publications

(1 citation statement)

References 52 publications

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“…[1][2][3][4][5][6][7][8][9][10][11] Great attention has been reserved to the study of Van der Waals structures, where atomically-thin 2D materials are vertically stacked and held together by weak and long range dispersive interactions, strongly affecting both the optical 12,13 and the electronic properties of the isolated single layers. 14 A promising material for such novel applications is graphene-like 2D polyaniline (also known as monolayer C 3 N), which has been recently synthesized through different approaches: 15,16 its electronic and optical properties have been extensively studied from a theoretical point of view, [17][18][19][20] revealing a quasi-particle band structure with indirect band-gap and intense optical absorption for photons in a narrow spectral range around 2 eV.…”

Section: Introductionmentioning

confidence: 99%

Quenching of low-energy optical absorption in bilayer C$_3$N polytypes

Zanfrognini¹,

Bonacci²,

Paleari³

et al. 2023

Preprint

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In this work we provide a first principles description of the electronic and optical properties of bilayers C3N, with different stacking motifs AB, AB and AA . Starting from quasi-particle electronic band-structures, we solve the Bethe Salpeter Equation (BSE) to access the excitonic properties of these bilayers. For all stacking sequences, we see strong optical absorption at energies lower than but close to that of the monolayer. Most relevant, we predict a strong quenching of the low-energy optical absorption, with negligible oscillator strength of low-lying bound excitons. This is a unique phenomenology that does not arise in the monolayer case, nor in other common homo-bilayers. We explain these findings in terms of the small interband dipole matrix elements associated to the valence-conduction transitions involved in these excitons, and discuss them in view of the different stacking motifs.

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