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Ordered sphalerite derivative Cu 5 Sn 2 S 7 : a degenerate semiconductor with high carrier mobility in the Cu–Sn–S diagram

Abstract : Regardless of the complexity of the phase diagram of the Cu–Sn–S system, several compositions near the prototypical mohite Cu2SnS3 have arisen as potential non-toxic, earth-abundant and cost-efficient photovoltaic and thermoelectric materials. In this work, we revisited the Cu2+xSn1−xS3 system and discovered a monoclinic (C2) ordered sphalerite derivative member, Cu5Sn2S7. Using a combination of synchrotron diffraction and spectroscopy, transmission electron microscopy, precession-assisted electron diffraction tomography, Mössbauer spectroscopy, first principles calculations and transport properties measurements, we discuss the structure–thermoelectric properties relationships and clarify the interesting crystal chemistry in this system. The ternary sulfide Cu5Sn2S7 exhibits a degenerate semiconducting behavior with exceptionally high hole mobility originating from the interplay between atomic ordering and charge delocalization.
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https://hal-normandie-univ.archives-ouvertes.fr/hal-03211806
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Submitted on : Monday, October 18, 2021 - 11:17:01 AM
Last modification on : Tuesday, October 19, 2021 - 11:34:28 PM

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Ventrapati Pavan Kumar, Pierric Lemoine, Virginia Carnevali, Gabin Guélou, Oleg Lebedev, et al.. Ordered sphalerite derivative Cu 5 Sn 2 S 7 : a degenerate semiconductor with high carrier mobility in the Cu–Sn–S diagram. Journal of Materials Chemistry A, Royal Society of Chemistry, 2021, 9, pp.10812-10826. ⟨10.1039/d1ta01615f⟩. ⟨hal-03211806⟩

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