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Charge-transport in tin-iodide perovskite CH3NH3SnI3: origin of high conductivity

Dalton Transactions · 2011 · Vol. 40(20) · pp. 5563–5563
Yukari TakahashiR. ObaraZhengzhong LinYukihiro TakahashiT. NaitoTamotsu InabeShoji IshibashiKiyoyuki Terakura

Abstract

The structural and electrical properties of a metal-halide cubic perovskite, CH(3)NH(3)SnI(3), have been examined. The band structure, obtained using first-principles calculation, reveals a well-defined band gap at the Fermi level. However, the temperature dependence of the single-crystal electrical conductivity shows metallic behavior down to low temperatures. The temperature dependence of the thermoelectric power is also metallic over the whole temperature range, and the large positive value indicates that charge transport occurs with a low concentration of hole carriers. The metallic properties of this as-grown crystal are thus suggested to result from spontaneous hole-doping in the crystallization process, rather than the semi-metal electronic structure. The present study shows that artificial hole doping indeed enhances the conductivity.

Perovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesSolid-state spectroscopy and crystallographyIodidePerovskite (structure)TinConductivityCharge (physics)Materials scienceChemical physicsChemical engineeringInorganic chemistryChemistry
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References
Projector augmented-wave method
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Structural Study on Cubic–Tetragonal Transition of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>
Journal of the Physical Society of Japan · 2002 · 506 citations
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