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arXiv · 1508.03612

Robust Bloch character at the band edges of hybrid halide perovskites

O. Rubel·A. Bokhanchuk
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Abstract

The high-symmetry pseudocubic init cell is often used for modelling the electronic structure of halide perovskites. However, direct comparison of the band structure with more realistic low-symmetry phases is impeded by the zone folding. We utilize a spectral density technique in order to reduce the supercell band structure to a common Bloch basis. This allows us to compare the electronic structure of high- and low-symmetry phases as well as investigate effects of structural and compositional disorder on states near to the band edges that govern transport, dissociation and recombination of optical excitations.

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O. Rubel, A. Bokhanchuk. 2015-08-14. Robust Bloch character at the band edges of hybrid halide perovskites. https://arxiv.org/abs/1508.03612

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