Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS2)

Zuniga-Puelles E.; Cardoso-Gil R.; Bobnar M.; Veremchuk I; Himcinschi C.; Hennig C.; Kortus J.; Heidee G.; Gumeniuk R.

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Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS2)

机译：高品质合成和天然胶丝（FES2）的结构稳定性和热电性能

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Synthetic bulk and natural pyrite from the hydrothermal mine in Schonbrunn (Saxony, Germany) are confirmed to be stoichiometric FeS2 compounds and stable (for thermoelectric applications) up to similar to 600 K by combined thermal, chemical, spectroscopic and X-ray diffraction analyses. Natural pyrite with a small amount (<0.6 wt%) of well-defined transition metal carbonates revealed characteristics of a nondegenerate semiconductor and is suitable as a model system for the investigation of thermoelectric performance. In the temperature range 50-600 K both natural and synthetic high quality bulk FeS2 samples show electrical resistivity and Seebeck coefficients varying within 220-5 x 10(-3) omega m and 4 - (-450) mu V K-1, respectively. The large thermal conductivity (similar to 40 W m(-1) K-1 at 300 K) is exclusively due to phononic contribution, showing a well pronounced maximum centered at similar to 75 K for natural pyrite (grain size <= 5 mm). It becomes almost completely suppressed in the sintered bulk samples due to the increase of point defect concentration and additional scattering on the grain boundaries (grain size <= 100 mu m). The thermoelectric performance of pure pyrite with ZT similar to 10(-6) at 600 K is indeed by a factor of similar to 1000 worse than those reported earlier for some minerals and synthetic samples.

机译：Schonbrunn（德国萨克森州萨克森州）的合成散装和天然硫铁矿被证实是化学计量的FES2化合物，并通过组合热，化学，光谱和X射线衍射分析来实现高达600 k的稳定（用于热电应用）。具有少量（<0.6wt％）的天然硫铁矿（<0.6wt％）的明确的过渡金属碳酸酯显示出非值半导体的特性，适合作为调查热电性能的模型系统。在温度范围内，自然和合成高质量的散装FES2样品分别显示电阻率和塞贝克系数，分别在220-5×10（-3）ωm和4 - （-450）mu v k-1内变化。。大的导热率（类似于40W m（-1）k-1，300 k）专门是由于声子贡献，显示出与75k用于天然硫铁矿的良好明显的最大值（晶粒尺寸<= 5mm）。由于点缺陷浓度的增加和晶界上的额外散射（晶粒尺寸<=100μm），它在烧结的散装样品中几乎完全抑制了烧结块样品。具有ZT的纯硫铁矿的热电性能在600 k下与10（-6）相似，确实是与某些矿物质和合成样品之前报道的那些相似的因素。

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《Dalton transactions: An international journal of inorganic chemistry》 |2019年第28期|共11页
作者
Zuniga-Puelles E.; Cardoso-Gil R.; Bobnar M.; Veremchuk I; Himcinschi C.; Hennig C.; Kortus J.; Heidee G.; Gumeniuk R.;
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TU Bergakad Freiberg Inst Expt Phys Leipziger Str 23 D-09599 Freiberg Germany;

Max Planck Inst Chem Phys Fester Stoffe Nothntzer Str 40 D-01187 Dresden Germany;

Max Planck Inst Chem Phys Fester Stoffe Nothntzer Str 40 D-01187 Dresden Germany;

Max Planck Inst Chem Phys Fester Stoffe Nothntzer Str 40 D-01187 Dresden Germany;

TU Bergakad Freiberg Inst Theoret Phys Leipziger Str 23 D-09599 Freiberg Germany;

Helmholtz Zentrum Dresden Rossendorf Inst Resource Ecol Bautzner Landstr 400 D-01328 Dresden Germany;

TU Bergakad Freiberg Inst Theoret Phys Leipziger Str 23 D-09599 Freiberg Germany;

TU Bergakad Freiberg Inst Mineral Brennhausgasse Str 14 D-09599 Freiberg Germany;

TU Bergakad Freiberg Inst Expt Phys Leipziger Str 23 D-09599 Freiberg Germany;

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中图分类化学;无机化学;
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Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS2)

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