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Layered tellurides: stacking faults induce low thermal conductivity in the new In2Ge2Te6 and thermoelectric properties of related compounds
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2017-08-21 00:00:00 , DOI: 10.1039/c7ta04810f Robin Lefèvre 1, 2, 3, 4, 5 , David Berthebaud 1, 2, 3, 4, 5 , Oleg Lebedev 1, 2, 3, 4, 5 , Olivier Pérez 1, 2, 3, 4, 5 , Célia Castro 1, 4, 6, 7, 8 , Stéphanie Gascoin 1, 2, 3, 4, 5 , Daniel Chateigner 1, 2, 3, 4, 5 , Franck Gascoin 1, 2, 3, 4, 5
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2017-08-21 00:00:00 , DOI: 10.1039/c7ta04810f Robin Lefèvre 1, 2, 3, 4, 5 , David Berthebaud 1, 2, 3, 4, 5 , Oleg Lebedev 1, 2, 3, 4, 5 , Olivier Pérez 1, 2, 3, 4, 5 , Célia Castro 1, 4, 6, 7, 8 , Stéphanie Gascoin 1, 2, 3, 4, 5 , Daniel Chateigner 1, 2, 3, 4, 5 , Franck Gascoin 1, 2, 3, 4, 5
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A new ternary layered compound In2Ge2Te6, belonging to the hexatellurogermanate family has been synthesized from the reaction of appropriate amounts of the pure elements at high temperature in sealed silica tubes. In2Ge2Te6 crystallizes in the rhombohedral space-group R![[3 with combining macron]](http://www.rsc.org/images/entities/char_0033_0304.gif)
:H with lattice parameters a = 7.0863(3) Å and c = 21.206(2) Å and its structure is resolved using single crystal X-ray diffraction. The transport properties (Seebeck coefficient, resistivity and thermal conductivity) of compounds belonging to the family AMTe3 (A = In and Cr; M = Ge and Si) are reported. All compounds are p-type semiconductors. InSiTe3 and Cr2Si2Te6 are too resistive to be good thermoelectric materials, with maximal power factors of 10−6 and 10−5 W m−2 K−2 at 473 K, while In2Ge2Te6 and Cr2Ge2Te6 exhibit maximal values of about 10−4 and 10−3 W m−2 K−2 at 673 K, respectively. All compounds exhibit thermal conductivity below 2 W m−1 K−1, with values dropping to 0.35 W m−1 K−1 at 673 K for In2Ge2Te6. Transmission electron microscopy evidences stacking faults explaining such low thermal conductivities. The best ZT values are observed for Cr2Ge2Te6 with 0.45 at 773 K and In2Ge2Te6 with 0.18 at 673 K. Among these layered structures, a spark plasma sintered Cr2Ge2Te6 sample exhibits some thermal conductivity anisotropy but only weakly due to crystallite orientations.
中文翻译：
层状碲化物：堆垛层错导致新型In 2 Ge 2 Te 6的低导热性以及相关化合物的热电性能
一种新的三元层状化合物In 2 Ge 2 Te 6，属于六氢锗锗酸盐家族，是由适当量的纯元素在密封的石英管中于高温下反应而合成的。在2 Ge 2 Te 6中，晶格参数为a = 7.0863（3）Å和c = 21.206（2）的菱面体空间群R：H中结晶，并使用单晶X射线衍射解析其结构。属于AMTe 3族的化合物的传输性质（塞贝克系数，电阻率和热导率）报告了（A = In和Cr； M = Ge和Si）。所有化合物均为p型半导体。InSiTe 3和Cr 2 Si 2 Te 6的电阻太大，无法成为良好的热电材料，在473 K时的最大功率因数为10 -6和10 -5 W m -2 K -2，而In 2 Ge 2 Te 6和Cr 2 Ge 2 Te 6的最大值约为10 -4和10 -3 W m -2 K -2分别为673 K 对于In 2 Ge 2 Te 6，所有化合物的热导率均低于2 W m -1 K -1，在673 K时其值降至0.35 W m -1 K -1。透射电子显微镜证明堆叠故障解释了如此低的热导率。对于在773 K下为0.45的Cr 2 Ge 2 Te 6和在673 K下为0.18的In 2 Ge 2 Te 6，观察到最佳的ZT值。在这些层状结构中，火花等离子体烧结Cr 2 Ge 2 Te 6 样品表现出一定的热导率各向异性，但仅由于微晶取向而弱。
更新日期：2017-09-19
:H with lattice parameters a = 7.0863(3) Å and c = 21.206(2) Å and its structure is resolved using single crystal X-ray diffraction. The transport properties (Seebeck coefficient, resistivity and thermal conductivity) of compounds belonging to the family AMTe3 (A = In and Cr; M = Ge and Si) are reported. All compounds are p-type semiconductors. InSiTe3 and Cr2Si2Te6 are too resistive to be good thermoelectric materials, with maximal power factors of 10−6 and 10−5 W m−2 K−2 at 473 K, while In2Ge2Te6 and Cr2Ge2Te6 exhibit maximal values of about 10−4 and 10−3 W m−2 K−2 at 673 K, respectively. All compounds exhibit thermal conductivity below 2 W m−1 K−1, with values dropping to 0.35 W m−1 K−1 at 673 K for In2Ge2Te6. Transmission electron microscopy evidences stacking faults explaining such low thermal conductivities. The best ZT values are observed for Cr2Ge2Te6 with 0.45 at 773 K and In2Ge2Te6 with 0.18 at 673 K. Among these layered structures, a spark plasma sintered Cr2Ge2Te6 sample exhibits some thermal conductivity anisotropy but only weakly due to crystallite orientations.
中文翻译：
层状碲化物：堆垛层错导致新型In 2 Ge 2 Te 6的低导热性以及相关化合物的热电性能
一种新的三元层状化合物In 2 Ge 2 Te 6，属于六氢锗锗酸盐家族，是由适当量的纯元素在密封的石英管中于高温下反应而合成的。在2 Ge 2 Te 6中，晶格参数为a = 7.0863（3）Å和c = 21.206（2）的菱面体空间群R
：H中结晶，并使用单晶X射线衍射解析其结构。属于AMTe 3族的化合物的传输性质（塞贝克系数，电阻率和热导率）报告了（A = In和Cr； M = Ge和Si）。所有化合物均为p型半导体。InSiTe 3和Cr 2 Si 2 Te 6的电阻太大，无法成为良好的热电材料，在473 K时的最大功率因数为10 -6和10 -5 W m -2 K -2，而In 2 Ge 2 Te 6和Cr 2 Ge 2 Te 6的最大值约为10 -4和10 -3 W m -2 K -2分别为673 K 对于In 2 Ge 2 Te 6，所有化合物的热导率均低于2 W m -1 K -1，在673 K时其值降至0.35 W m -1 K -1。透射电子显微镜证明堆叠故障解释了如此低的热导率。对于在773 K下为0.45的Cr 2 Ge 2 Te 6和在673 K下为0.18的In 2 Ge 2 Te 6，观察到最佳的ZT值。在这些层状结构中，火花等离子体烧结Cr 2 Ge 2 Te 6 样品表现出一定的热导率各向异性，但仅由于微晶取向而弱。
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