Are hybrid perovskites photoferroelectric?
Andrew McMahon a, Piers Barnes a, Nicholas Bristowe b
Materials for Sustainable Development Conference (MATSUS)
Proceedings of September Meeting 2016 (NFM16)
Berlin, Germany, 2016 September 5th - 13th
Organizers: Marin Alexe, Enrique Cánovas, Celso de Mello Donega, Ivan Infante, Thomas Kirchartz, Maksym Kovalenko, Federico Rosei, Lukas Schmidt-Mende, Laurens Siebbeles, Peter Strasser, Teodor K Todorov, Roel van de Krol and Ulrike Woggon
Poster, Andrew McMahon, 522
Publication date: 14th June 2016

Inorganic metal halide and hybrid organic-inorganic perovskite solar cells have attracted a great amount of scientific interest over the past few years due to their unprecedented increase in efficiencies despite the active absorber materials being made from relatively cheap products and solution processable methods.The hybrid perovskite material itself is known to have many extraordinary properties which make it an excellent PV absorber material, including long charge carrier diffusion lengths and a close to optimal optical band gap in its room temperature phase.


Within the literature there has been much debate concerning the possibility that hybrid perovskites could be ferroelectric and that such ferroelectricity may explain the hysteresis observed in devices. Here we show semi-classical Monte Carlo simulations which suggest that some hypothesised ferroelectric effects do not cause this hysteresis. A discussion is then presented of the most recent findings in the literature around this debate and why the hybrid perovskites are in fact not considered to be ferroelectric.

We conclude with a discussion of possibilities for building photoferroelectric materials based upon the hybrid perovskites, even though they themselves are not ferroelectric. We show using ab initio simulations that this approach has great promise to allow us to synthesise materials which are both excellent PV absorbers and  can support a spontaneous polarisation, and thus may provide us with metal halide based materials with enhanced photoferroelectric properties.



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