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Pré-Publication, Document De Travail (Preprint/Prepublication) Année : 2023

Electronic localization in high-angle twisted boron nitride bilayer

Résumé

We investigate the electronic structure and the optical absoprtion onset of hexagonal boron nitride twisted bilayers at twist angles in the vicinity of 30\degree. Our investigations are done with ab initio density functional theories and a purposely designed tight-binding model. Despite its few parameters, we verify that the model ensures high precision on low-energy excitations. We demonstrate that approaching 30\degree, all stacking sequences tend to have the same band structure which is characterised by a bundle of flat bands laying slightly above the bottom conduction. The simulated independent-particle absorption spectra display an intense and well-defined peak at the onset, stemming solely from transitions to the bundle of flat states. These results suggest the presence of strong, stable and stacking-independent optical properties of boron nitride 30\degree-twisted bilayers. More importantly, the formation of flat bands and the indistinguishability of the stacking sequence, are expected to be common characteristics to all homobilayers made hexagonal monolayers at twist angles close to 30\degree. In fact, they are a consequence of the loss of translation symmetry (quasicrystal limit) occurring in all these systems at twists of exactly 30\degree.
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Dates et versions

hal-04290286 , version 1 (16-11-2023)

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Sylvain Latil, van Binh Vu, Elisa Serrano Richaud, Hakim Amara, Lorenzo Sponza. Electronic localization in high-angle twisted boron nitride bilayer. 2023. ⟨hal-04290286⟩
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