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    Electronic transport properties of single-crystal pyrite FeS2

    Chris Leighton* and Yeon Lee

    • Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA

    • *Contact author: leighton@umn.edu

    Phys. Rev. Materials 10, 080301 – Published 26 August, 2026

    DOI: https://doi.org/10.1103/k7w1-v6zc

    Abstract

    Pyrite-structure iron disulfide, in addition to being an important mineral, is also an ∼1-eV-band-gap semiconductor with substantial application potential. In particular, pyrite's earth-abundant, nontoxic, low-cost constituents, combined with its high visible light absorption, high carrier mobility, good minority carrier diffusion length, and other attributes, have led to it being pursued as a photovoltaic absorber material. An effort in this direction from the 1980s was not particularly successful, however, with pyrite-based solar cells not exceeding ∼3% power conversion efficiency. Subsequent to that effort, increased focus on sustainable energy technologies drove a substantial resurgence of interest in FeS2, more closely focused on the fundamental obstacles to high performance as a photovoltaic absorber. This second wave of effort took place over the last 15 years or so, quite strongly focused on high-quality FeS2 single crystals as model systems. This Research Update aims to summarize the knowledge and understanding gained through this recent effort, focusing specifically on the electronic (mostly transport) properties of single-crystal pyrite. Highlighted advances include comprehensive study of surface conduction in FeS2, greatly improved understanding of doping, and consequent deeper insight into fundamental behavior such as conduction mechanisms, the insulator-metal transition, and doping-induced magnetism. Through such advances, substantial insights into the origins of the underperformance of pyrite FeS2 as a photovoltaic material have been obtained, to the point that fresh strategies for redesigned solar (and other) devices mitigating these problems can now be formulated and tested.

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