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首页> 外文期刊>ACS applied materials & interfaces >Band and Phonon Engineering for Thermoelectric Enhancements of Rhombohedral GeTe
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Band and Phonon Engineering for Thermoelectric Enhancements of Rhombohedral GeTe

机译：Rhombohedral Gete热电增强的频段和声子工程

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摘要

Rhombohedral GeTe can be approximated as the directional distortion of the cubic GeTe along [111]. Such a symmetry-breaking of the crystal structure results in an opposite arrangement in energy of the L and Sigma valence bands, and a split of them into 3L+1Z and 6 Sigma+6 eta, respectively. This enables a manipulation of the overall band degeneracy for thermoelectric enhancements through a precise control of the degree of crystal structure deviating from a cubic structure for the alignment of the split bands. Here, we show the effect of AgBiSe2-alloying on the crystal structure as well as thermoelectric transport properties of rhombohedral GeTe. AgBiSe2 alloying is found to not only finely manipulate the crystal structure for band convergence and thereby an increased band degeneracy, but also flatten the valence band for an increased band effective mass. Both of them result in an increased density of state effective mass and therefore an enhanced Seebeck coefficient along with a decreased mobility. Moreover, a remarkably reduced lattice thermal conductivity of similar to 0.4 W/m-K is obtained due to the introduced additional point defect phonon scattering and bond softening by the alloying. With the help of Bi-doping at the Ge site for further optimizing the carrier concentration, thermoelectric figure of merit, zT, of similar to 1.7 and average zT(ave) of similar to 0.9 are achieved in 5% AgBiSe2-alloyed rhombohedral GeTe, which demonstrates this material as a promising candidate for low-temperature thermoelectric applications.
机译：rhombohedral gete可以近似为立方Get的定向失真[111]。晶体结构的这种对称性破裂导致L和Sigma价带的能量的相反布置，并分别将它们分成3L + 1Z和6个Sigma + 6 ETA。这使得能够通过精确控制偏离分割带的对准的晶体结构的晶体结构的精确控制来操纵热电增强的整体频带退化。在这里，我们展示了AgBise2合金化对晶体结构的影响以及菱面对的热电传输性能。 agbise2的合金化不仅可以精细地操纵带收敛的晶体结构，从而增加了增加的带性变性，而且还使价带增加了增加的频带有效质量。它们的两个都导致状态有效质量的密度增加，因此增强了塞贝克系数以及降低的移动性。此外，由于引入的附加点缺陷声子散射和通过合金化粘接软化，因此获得了类似于0.4W / m-K的晶格导热率。借助于在GE位点的双掺杂进行用于进一步优化载流子浓度，在5％agbise2合金菱形菱形gete中实现了类似于0.9的载体浓度，Zt的热电值，Zt，平均Z​​T（Ave）是实现的，这将这种材料作为低温热电应用的有希望的候选者。

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  • 来源
    《ACS applied materials & interfaces》 |2019年第34期|共7页
  • 作者

    Liu Hongxia; Zhang Xinyue; Li Juan; Bu Zhonglin; Meng Xiang; Ang Ran; Li Wen;

  • 作者单位

    Tongji Univ Sch Mat Sci &

    Engn Interdisciplinary Mat Res Ctr 4800 Caoan Rd Shanghai 201804 Peoples R China;

    Tongji Univ Sch Mat Sci &

    Engn Interdisciplinary Mat Res Ctr 4800 Caoan Rd Shanghai 201804 Peoples R China;

    Tongji Univ Sch Mat Sci &

    Engn Interdisciplinary Mat Res Ctr 4800 Caoan Rd Shanghai 201804 Peoples R China;

    Tongji Univ Sch Mat Sci &

    Engn Interdisciplinary Mat Res Ctr 4800 Caoan Rd Shanghai 201804 Peoples R China;

    Chongqing Univ Arts &

    Sci Res Inst New Mat Technol Coinnovat Ctr Micronano Optoelect Mat &

    Devices Chongqing 402160 Peoples R China;

    Sichuan Univ Inst Nucl Sci &

    Technol Minist Educ Key Lab Radiat Phys &

    Technol Chengdu 610064 Sichuan Peoples R China;

    Tongji Univ Sch Mat Sci &

    Engn Interdisciplinary Mat Res Ctr 4800 Caoan Rd Shanghai 201804 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学工业;
  • 关键词

    thermoelectric; rhombohedral GeTe; band engineering phonon engineering; average zT;

    机译：热电;菱面板Gete;乐队工程声子工程;平均ZT;

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