Doping in controlling the type of conductivity in bulk and nanostructured thermoelectric materials
Doping in controlling the type of conductivity in bulk and nanostructured thermoelectric materials
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DOI：
10.1016/j.jssc.2016.05.029
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发表时间：
2016-08-01
影响因子：
3.3
通讯作者：
Gelbstein, Y.
中科院分区：
文献类型：
--
作者：
Fuks, D.;Komisarchik, G.;Gelbstein, Y.
热电应用材料的掺杂如今被广泛用于控制导电性的类型。我们报告的从头计算的结果，旨在制定一致的计划，以确定杂质的作用，可能会改变类型的导电性在两个有吸引力的热电类材料。结果表明，TiNiSn与Cu合金化使材料具有n型导电性，与Fe合金化使材料具有p型导电性。对于PbTe进行类似的计算，其中少量Na取代Pb导致p型导电性，而Cl取代Te使PbTe成为n型材料。它还表明，对于纳米晶粒材料的n型导电性，应观察。并讨论了杂质偏聚对纳米结构碲化铅晶界的影响。(C)2016 Elsevier Inc. All rights reserved.
Doping of materials for thermoelectric applications is widely used nowadays to control the type of conductivity. We report the results of ab-initio calculations aimed at developing the consistent scheme for determining the role of impurities that may change the type of conductivity in two attractive thermoelectric classes of materials. It is demonstrated that alloying of TiNiSn with Cu makes the material of n-type, and alloying with Fe leads to p-type conductivity. Similar calculations for PbTe with small amount of Na substituting for Pb leads to p-type conductivity, while CI substituting for Te makes PbTe an n-type material. It is shown also that for nano-grained materials the n-type conductivity should be observed. The effect of impurities segregating to the grain boundaries in nano-structured PbTe is also discussed. (C) 2016 Elsevier Inc. All rights reserved.