Sn取代对铜基硫化物Famatinite Cu3SbS4热电性能的影响
Effect of Sn-substitution on Thermoelectric Properties of Copper-based Sulfide, Famatinite Cu3SbS4
摘要：
铜基硫化物是一种极具吸引力的热电材料。在这项研究中，我们证明了Sn取代的影响，在300至573 K的电和热输运性质的铁磁Cu 3SbS 4。通过Sn取代，载流子浓度被控制在4 \times 10 ^18至8 \times 10 ^20 cm^-3的范围内。态密度的有效质量被发现是~3.0 me，假设单抛物带模型。直接型光学带隙约为0.9 eV，与密度泛函理论计算结果一致。Sn掺杂样品在573 K时的无量纲优值达到0.1。
英文摘要：
Copper-based sulfide is an attractive material for Earth-abundant thermoelectrics. In this study, we demonstrate the effect of Sn-substitution on the electrical and thermal transport properties of fematinite Cu3SbS4 from 300 to 573 K. The carrier concentration is controlled in the range from 4 \times 10^18 to 8 \times 10^20 cm^-3 by Sn-substitution. The density-of-states effective mass is found to be ~3.0 me, assuming the single parabolic band model. The direct-type optical band gap is ~0.9 eV, which is consistent with the density functional theory calculation. The dimensionless figure of merit reaches 0.1 for Sn-doped samples at 573 K.
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