Evidence for photogenerated intermediate hole polarons in ZnO

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Date

2015

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en

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Nature Communications, Volume 6, pp. 1-4

Abstract

Despite their pronounced importance for oxide-based photochemistry, optoelectronics and photovoltaics, only fairly little is known about the polaron lifetimes and binding energies. Polarons represent a crucial intermediate step populated immediately after dissociation of the excitons formed in the primary photoabsorption process. Here we present a novel approach to studying photoexcited polarons in an important photoactive oxide, ZnO, using infrared (IR) reflection–absorption spectroscopy (IRRAS) with a time resolution of 100 ms. For well-defined (10-10) oriented ZnO single-crystal substrates, we observe intense IR absorption bands at around 200 meV exhibiting a pronounced temperature dependence. On the basis of first-principles-based electronic structure calculations, we assign these features to hole polarons of intermediate coupling strength.

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Keywords

first principles, infrared spectroscopy, polarons, ZnO

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Citation

Sezen, H, Shang, H, Bebensee, F, Yang, C, Buchholz, M, Nefedov, A, Heissler, S, Carbogno, C, Scheffler, M, Rinke, P & Wöll, C 2015, ' Evidence for photogenerated intermediate hole polarons in ZnO ', Nature Communications, vol. 6, 6901, pp. 1-4 . https://doi.org/10.1038/ncomms7901