Design of Highly Efficient Thermoelectric Materials: Tailoring Reciprocal‐Space Properties by Real‐Space Modification,Advanced Materials

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Design of Highly Efficient Thermoelectric Materials: Tailoring Reciprocal‐Space Properties by Real‐Space Modification
Advanced Materials ( IF 27.4 ) Pub Date : 2018-09-09 , DOI: 10.1002/adma.201802000
Hao Zhu ₁ , Chong Xiao ₁ , Yi Xie ₁

Affiliation

Although restricted by the poor performance at present, thermoelectric materials for power‐generation devices and solid‐state Peltier coolers still possess unlimited vitality, thus capturing considerable attention. Understanding and manipulating the electrical and thermal transport mechanisms in thermoelectrics play significant roles in tailoring the properties of various thermoelectric materials. The transport behavior of electrons and phonons are closely related to the chemical composition and structure, which are defined in real space. Meanwhile, transport properties are also contingent on the band structure and phonon spectrum, both of which are represented in the reciprocal‐space first Brillouin zone. Real space and reciprocal space are bridged by the Fourier transform, and the combination of real‐space and reciprocal‐space properties will provide more possibilities for regulating transport characteristics. Herein, a compendious discussion of the internal connection between real space and reciprocal space, and the underlying physics and chemistry is presented. Then, how the relationship between real and reciprocal space provides additional insights to govern electrical and thermal transport parameters is elaborated upon, thereby enabling the discovery and optimization of thermoelectric materials. In conclusion, specific challenges and feasible directions are discussed.

中文翻译：

高效热电材料的设计：通过实空间修改来调整互空间属性

尽管目前受性能不佳的限制，但用于发电设备和固态珀耳帖冷却器的热电材料仍然具有无限的生命力，因此引起了广泛的关注。了解和操纵热电中的电和热传输机制在调整各种热电材料的性能方面起着重要作用。电子和声子的传输行为与在实际空间中定义的化学组成和结构密切相关。同时，传输特性也取决于能带结构和声子谱，这两者都在互易空间的第一布里渊区中表示。实空间和倒数空间通过傅立叶变换进行桥接，实空间和倒数空间属性的组合将为调节运输特性提供更多可能性。在此，对真实空间和互易空间之间的内部联系以及潜在的物理和化学进行了激烈的讨论。然后，阐述了真实空间和倒数空间之间的关系如何提供其他见解来控制电和热传输参数，从而实现了热电材料的发现和优化。总之，讨论了具体的挑战和可行的方向。阐述了真实空间和相互空间之间的关系如何提供其他见解来控制电和热传输参数，从而实现了热电材料的发现和优化。总之，讨论了具体的挑战和可行的方向。阐述了真实空间和相互空间之间的关系如何提供其他见解来控制电和热传输参数，从而实现了热电材料的发现和优化。总之，讨论了具体的挑战和可行的方向。

更新日期：2018-09-09

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