钐填充skutterudite化合物的晶体结构和热电性能

以Sm作为填充原子，用熔融法结合放电等离子快速烧结技术（SPS）制备出了单相的SmyFexCo4-xSb12化合物。Rietveld精确化结果表明：所制备的SmyFexCo4-xSb12化合物具有填充式skutterudite结构，Sm的热振动参量（B）比Sb和Fe／Co的大，说明Sm在SmyFexCo4-xSb12化合物中具有扰动效应。热电性能测试结果表明：随着Sm原子填充分数的增加，SmyFexCo4-xSb12化合物的电导率减小；Seebeck系数增加，在填充分数为0．38时达最大值；热导率减小，在填充分数为0．32时最低。Sm0．32Fe1．47Co2．53Sb12化合物在750K时具有最大热电性能指数ZTmax值为0．68。

Crystal Structures and Thermoelectric Properties of Sm-Filled Skutterudite Compounds SmyFexCo4-xSb12

Polycrystalline samples of Sm partially filled skutterudites Sm_yFe_xCo_(4-x)Sb_(12) were prepared by melting and spark plasma sintering(SPS) method.The results of Rietveld refinement demonstrate that the obtained Sm_yFe_xCo_(4-x)Sb_(12) samples possess a filled skutterudite structure.The thermal parameters(B) of Sm is larger than that of Sb,Fe and Co,indicating that the Sm "rattles" in Sb-icosahedron voids.The effects of filling atoms Sm on the thermoelectric properties of these compounds were investigated.Results show that with the Sm filling fraction(y) increasing,the electrical conductivity decreases,the Seebeck coefficient increases and has a maximum value when y is 0.38;the thermal conductivity decreases and has a minimum value when y is 0.32.At 750 K,the ZT_(max) value of 0.68 is obtained for Sm_(0.32)Fe_(1.47)Co_(2.53)Sb_(12).