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Off-Centering of Ge Atoms in GeBi2Te4 and Impact on Thermoelectric Performance
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2024-01-09 , DOI: 10.1002/adfm.202314499
Jinfeng Dong 1 , Lei Hu 2 , Jue Liu 3 , Yukun Liu 4 , Yilin Jiang 5 , Zhiling Yu 6 , Xian Yi Tan 7 , Ady Suwardi 7 , Qiang Zheng 6 , Qian Li 5 , Jing‐Feng Li 5 , Vinayak P. Dravid 4 , Qingyu Yan 1, 7 , Mercouri G. Kanatzidis 8
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2024-01-09 , DOI: 10.1002/adfm.202314499
Jinfeng Dong 1 , Lei Hu 2 , Jue Liu 3 , Yukun Liu 4 , Yilin Jiang 5 , Zhiling Yu 6 , Xian Yi Tan 7 , Ady Suwardi 7 , Qiang Zheng 6 , Qian Li 5 , Jing‐Feng Li 5 , Vinayak P. Dravid 4 , Qingyu Yan 1, 7 , Mercouri G. Kanatzidis 8
Affiliation
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The crystal structure and transport properties of GeBi2Te4 are investigated as a layered compound with potential applications as thermoelectric materials. A disordered arrangement of Ge and Bi atoms in a septuple-layer structure is discovered through synchrotron radiation X-ray diffraction and transmission electron microscopy. Neutron pair distribution function analysis revealed the presence of discordant Ge atoms with an off-centering distance of 0.12 Å at 300 K. The thermal conductivity of GeBi2Te4 is very low due to the strong phonon scattering. This is a result of the three Einstein local oscillators coupled with the disordered arrangement of atoms. This study also explores further the structural characteristics of these materials and their associated phonon scattering processes. The effect of Sb substitution for Ge on the electrical transport properties of the sample is profound, resulting in a change from p-type to n-type conduction. An enhanced thermoelectric figure of merit (ZT) of 0.45 at 523 K in the in-plane direction is obtained. This research provides valuable insights into the crystal structure and transport properties of GeBi2Te4, showcasing its promising role as a thermoelectric material with potential for near-room-temperature applications.
中文翻译：
GeBi2Te4 中 Ge 原子的偏心及其对热电性能的影响
研究了GeBi 2 Te 4作为层状化合物的晶体结构和输运性质，其具有作为热电材料的潜在应用。通过同步辐射X射线衍射和透射电子显微镜发现七层结构中Ge和Bi原子的无序排列。中子对分布函数分析表明，300 K 时存在偏心距离为 0.12 Å 的不协调 Ge 原子。由于强烈的声子散射， GeBi 2 Te 4的热导率非常低。这是三个爱因斯坦本振与原子无序排列相结合的结果。这项研究还进一步探讨了这些材料的结构特征及其相关的声子散射过程。 Sb 取代 Ge 对样品的电传输特性影响深远，导致从 p 型传导到 n 型传导。在 523 K 的面内方向上获得了 0.45 的增强热电品质因数 ( ZT )。这项研究为GeBi 2 Te 4的晶体结构和输运特性提供了宝贵的见解，展示了其作为具有近室温应用潜力的热电材料的广阔前景。
更新日期：2024-01-09
中文翻译：
GeBi2Te4 中 Ge 原子的偏心及其对热电性能的影响
研究了GeBi 2 Te 4作为层状化合物的晶体结构和输运性质，其具有作为热电材料的潜在应用。通过同步辐射X射线衍射和透射电子显微镜发现七层结构中Ge和Bi原子的无序排列。中子对分布函数分析表明，300 K 时存在偏心距离为 0.12 Å 的不协调 Ge 原子。由于强烈的声子散射， GeBi 2 Te 4的热导率非常低。这是三个爱因斯坦本振与原子无序排列相结合的结果。这项研究还进一步探讨了这些材料的结构特征及其相关的声子散射过程。 Sb 取代 Ge 对样品的电传输特性影响深远，导致从 p 型传导到 n 型传导。在 523 K 的面内方向上获得了 0.45 的增强热电品质因数 ( ZT )。这项研究为GeBi 2 Te 4的晶体结构和输运特性提供了宝贵的见解，展示了其作为具有近室温应用潜力的热电材料的广阔前景。
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