Effect of disorder on transport properties in a tight-binding model for lead halide perovskites

Sahel Ashhab, O. Voznyy, S. Hoogland, E. H. Sargent, Mohamed Madjet

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Abstract

The hybrid organic-inorganic lead halide perovskite materials have emerged as remarkable materials for photovoltaic applications. Their strengths include good electric transport properties in spite of the disorder inherent in them. Motivated by this observation, we analyze the effects of disorder on the energy eigenstates of a tight-binding model of these materials. In particular, we analyze the spatial extension of the energy eigenstates, which is quantified by the inverse participation ratio. This parameter exhibits a tendency, and possibly a phase transition, to localization as the on-site energy disorder strength is increased. However, we argue that the disorder in the lead halide perovskites corresponds to a point in the regime of highly delocalized states. Our results also suggest that the electronic states of mixed-halide materials tend to be more localized than those of pure materials, which suggests a weaker tendency to form extended bonding states in the mixed-halide materials and is therefore not favourable for halide mixing.

Original languageEnglish
Article number8902
JournalScientific Reports
Volume7
Issue number1
DOIs
Publication statusPublished - 1 Dec 2017

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perovskites
halides
transport properties
disorders
eigenvectors
tendencies
energy
electronics

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Effect of disorder on transport properties in a tight-binding model for lead halide perovskites. / Ashhab, Sahel; Voznyy, O.; Hoogland, S.; Sargent, E. H.; Madjet, Mohamed.

In: Scientific Reports, Vol. 7, No. 1, 8902, 01.12.2017.

Research output: Contribution to journalArticle

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