Physical Insights on the Lattice Softening Driven Mid-Temperature Range Thermoelectrics of Ti/Zr-Inserted SnTe-An Outlook Beyond the Horizons of Conventional Phonon Scattering and Excavation of Heikes’ Equation for Estimating Carrier Properties

Muchtar Ahmad Rifqi; Srinivasan Bhuvanesh; Le Tonquesse Sylvain; Singh Saurabh; Soelami Nugroho; Yuliarto Brian; Berthebaud David; Mori Takao

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Physical Insights on the Lattice Softening Driven Mid-Temperature Range Thermoelectrics of Ti/Zr-Inserted SnTe-An Outlook Beyond the Horizons of Conventional Phonon Scattering and Excavation of Heikes’ Equation for Estimating Carrier Properties

机译：晶格软化的物理见解推动Ti / ZR插入的SNTE的中温度热电子 - 超出传统声子散射视野的展望及其继承率探测载体特性的挖掘

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Most of the best known SnTe-based materials exhibit an attractive thermoelectric figure of merit (zT) only at the high-temperature regime, but their performance at the low-mid temperature ranges is quite uninspiring, and this discordance necessitates a large temperature gradient ( increment T = 550 K) to effectuate a reasonable efficiency, eta. Here, the transition elements, Ti and Zr, that have not been used in the past are tried as dopants for SnTe and an enhanced device/average zT and/or eta are reported with a lower increment T approximate to 400 K and without the requisite for a stupendous peak/maximum zT. This notable performance emanates from-i) improved weighted mobility by optimally balancing between effective mass, carrier concentration, and mobility, ii) coupling of charge carriers with magnetic entropy, and the paramount factor being the iii) weakening of the chemical bonds (lattice softening). The thermal damping caused by lattice softening affects the phonon group velocity and the elastic properties, and the resultant increase in the degree of anharmonicity and the high density of internal strain-fields, along with the phonon scattering effects, play an active role in tuning the overall thermoelectric performance. This work also excavates/opens up the discussion of applying the Heikes' equation to qualitatively compare the trend of charge carriers for a given thermoelectric material system.

机译：大多数最着名的基于SNTE的材料仅在高温制度下表现出一个有吸引力的热电人物（ZT），但它们在低中温范围内的性能非常悬而未受，并且这种不等调需要大的温度梯度（增量T＆ = 550 k），以实现合理的效率ETA。这里，过去未使用的过渡元件，Ti和Zr被尝试为SNTE的掺杂剂，并且报告增强型装置/平均ZT和/或ETA，其增加到400 k和不需要对于巨大的峰/最大ZT。这种显着的性能来自-i）通过在具有磁熵的有效质量，载流子浓度和移动性，II）耦合的电荷载体与磁熵的耦合和偏远的因素之间的耦合来改善加权迁移率，以及III的求和因素削弱了化学键（晶格软化）。晶格软化引起的热阻尼会影响声子群速度和弹性性质，并且所得到的anharconicity程度和内部应变场的高密度的增加，以及声子散射效果，在调整时发挥积极作用总体热电性能。这项工作也挖掘/开辟了应用Heikes方程来定性比较给定热电材料系统的电荷载体趋势的讨论。

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来源
《Advanced energy materials》 |2021年第28期|2101122.1-2101122.21|共21页
作者
Muchtar Ahmad Rifqi; Srinivasan Bhuvanesh; Le Tonquesse Sylvain; Singh Saurabh; Soelami Nugroho; Yuliarto Brian; Berthebaud David; Mori Takao;
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Natl Inst Mat Sci NIMS WPI Int Ctr Mat Nanoarchitecton WPI MANA 1-1 Namiki Tsukuba Ibaraki 3050044 Japan|Inst Technol Bandung Res Ctr Nanosci & Nanotechnol Dept Engn Phys Bandung 40132 Indonesia;

Natl Inst Mat Sci NIMS WPI Int Ctr Mat Nanoarchitecton WPI MANA 1-1 Namiki Tsukuba Ibaraki 3050044 Japan|Natl Inst Mat Sci NIMS CNRS St Gobain NIMS IRL 3629 LINK 1-1 Namiki Tsukuba Ibaraki 3050044 Japan;

Natl Inst Mat Sci NIMS CNRS St Gobain NIMS IRL 3629 LINK 1-1 Namiki Tsukuba Ibaraki 3050044 Japan;

Toyota Technol Inst Res Ctr Smart Energy Technol Nagoya Aichi 4688511 Japan;

Inst Technol Bandung Res Ctr Nanosci & Nanotechnol Dept Engn Phys Bandung 40132 Indonesia;

Inst Technol Bandung Res Ctr Nanosci & Nanotechnol Dept Engn Phys Bandung 40132 Indonesia;

Natl Inst Mat Sci NIMS CNRS St Gobain NIMS IRL 3629 LINK 1-1 Namiki Tsukuba Ibaraki 3050044 Japan;

Natl Inst Mat Sci NIMS WPI Int Ctr Mat Nanoarchitecton WPI MANA 1-1 Namiki Tsukuba Ibaraki 3050044 Japan;

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正文语种 eng
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chemical bond weakening; Heikes' equation; SnTe; thermoelectrics;

机译：化学键弱化;海赫斯的等式;SNTE;热电;

Physical Insights on the Lattice Softening Driven Mid-Temperature Range Thermoelectrics of Ti/Zr-Inserted SnTe-An Outlook Beyond the Horizons of Conventional Phonon Scattering and Excavation of Heikes’ Equation for Estimating Carrier Properties

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