Data for Electronic transport across the insulator-metal transition in Co-doped pyrite FeS₂ single crystals

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2019-03-24
2022-04-16

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2025-02-27

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Data for Electronic transport across the insulator-metal transition in Co-doped pyrite FeS₂ single crystals

Published Date

2025-03-11

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Leighton, Chris
leighton@umn.edu

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Abstract

Pyrite FeS₂ is a low-cost, sustainable, non-toxic, 1-eV-band-gap semiconductor with unrealized potential in several application arenas, including photovoltaics. From the fundamental perspective, issues such as surface conduction and the deep-donor nature of S vacancies have hindered the study of low-temperature electronic phenomena in pyrite, including the insulator-metal transition (IMT). Here, we leverage a recently developed CoS₂-based contact scheme in tandem with wide-range doping via shallow Co donors to directly access low-temperature bulk FeS₂ transport properties and thus probe the IMT. Thoroughly characterized FeS₂:Co single crystals are studied over broad ranges of temperature (0.4 – 400 K) and Hall electron density (8.6 × 10¹⁶ – 2.0 × 10²⁰ cm⁻³) through resistivity, Hall effect, and magnetoresistance measurements. The IMT is found to occur near 2 × 10¹⁷ cm⁻³, with Efros-Shklovskii variable-range hopping below this, weak-localization-corrected metallic conductivity above this, and the onset of magnetic effects at the highest doping levels. Most significantly, unexpected additional phenomena are found in the vicinity of the IMT, including a non-linear Hall effect with non-monotonic temperature and doping dependence, and a non-saturating, linear positive magnetoresistance at low temperatures. Quantitative analysis of these phenomena points to unusually strong effect disorder effects in the vicinity of the IMT, further elucidating the electronic behavior of this unique semiconductor.

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Enclosed in this dataset are all digital data from each main-text figure in the journal article entitled "Electronic transport across the insulator-metal transition in Co-doped pyrite FeS₂ single crystals". Data include powder X-ray diffraction, single-crystal X-ray diffraction, particle-induced X-ray emission, electronic transport measurements, and detailed analyses of electronic properties and parameters. Please see the "Readme.txt" file for more details.

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This work was primarily supported by the Minnesota Environment and Natural Resources Trust Fund (ENRTF), as recommended by the Legislative-Citizen Commission on Minnesota Resources (LCCMR). Aspects related to magnetic effects were supported by the US Department of Energy through the University of Minnesota (UMN) Center for Quantum Materials, under Grant No. DE-SC0016371. Parts of this work were conducted in the University of Minnesota Characterization Facility, which is partially supported by the National Science Foundation through the MRSEC program under DMR-2011401.

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Das, Bhaskar; Voigt, Bryan; Moore, William; Lee, Yeon; Maiti, Moumita; Chaturvedi, Vipul; Haugstad, Greg; Manno, Michael; Aydil, Eray; Leighton, Chris. (2025). Data for Electronic transport across the insulator-metal transition in Co-doped pyrite FeS₂ single crystals. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://hdl.handle.net/11299/270213.

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