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arXiv · 2212.07862

Rhombohedral and Turbostratic Boron Nitride Polytypes Investigated by X-ray Absorption Spectroscopy

Weine Olovsson·Martin Magnuson
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Abstract

The electronic structure of rhombohedral sp2 hybridized boron nitride (r-BN) is characterized by X-ray absorption near-edge structure spectroscopy. Measurements are performed at the boron and nitrogen K-edges (1s) and interpreted with first-principles density functional theory calculations, including final state effects by applying a core-hole. We show that it is possible to distinguish between different 2D planar polytypes such as rhombohedral, twinned rhombohedral, hexagonal and turbostratic BN by the difference in chemical shifts. In particular, the chemical shift at the B 1s-edge is shown to be significant for the turbostratic polytype. This implies that the band gap can be tuned by a superposition of different polytypes and stacking of lattice planes.

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Weine Olovsson, Martin Magnuson. 2022-12-15. Rhombohedral and Turbostratic Boron Nitride Polytypes Investigated by X-ray Absorption Spectroscopy. https://doi.org/10.1021/acs.jpcc.2c06895

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