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首页> 外文期刊>Advanced energy materials >Achieving zT > 2 in p-Type AgSbTe_(2−x)Se_x Alloys via Exploring the Extra Light Valence Band and Introducing Dense Stacking Faults
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Achieving zT > 2 in p-Type AgSbTe_(2−x)Se_x Alloys via Exploring the Extra Light Valence Band and Introducing Dense Stacking Faults

机译：通过探索超轻价带并引入密集堆积缺陷，在p型AgSbTe_（2-x）Se_x合金中实现zT> 2

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摘要

Through simultaneously enhancing the power factor by engineering the extra light band and enhancing phonon scatterings by introducing a high density of stacking faults, a record figure-of-merit over 2.0 is achieved in p-type AgSbTe2-xSex alloys. Density functional theory calculations confirm the presence of the light valence band with large degeneracy in AgSbTe2, and that alloying with Se decreases the energy offset between the light valence band and the valence band maximum. Therefore, a significantly enhanced power factor is realized in p-type AgSbTe2-xSex alloys. In addition, transmission electron microscopy studies indicate the appearance of stacking faults and grain boundaries, which together with grain boundaries and point defects significantly strengthen phonon scatterings, leading to an ultralow thermal conductivity. The synergetic strategy of simultaneously enhancing power factor and strengthening phonon scattering developed in this study opens up a robust pathway to tailor thermoelectric performance.
机译：通过同时设计额外的光带来提高功率因数，并通过引入高密度的堆垛层错来增强声子散射，p型AgSbTe2-xSex合金的品质因数达到了创纪录的2.0以上。密度泛函理论计算证实了AgSbTe2中存在简并大的轻价带，并且与Se合金化降低了轻价带和最大价带之间的能量偏移。因此，在p型AgSbTe2-xSex合金中实现了显着提高的功率因数。另外，透射电子显微镜研究表明堆垛层错和晶界的出现，与晶界和点缺陷一起显着增强了声子的散射，从而导致超低的热导率。在这项研究中开发的同时提高功率因数和增强声子散射的协同策略为调整热电性能开辟了稳健的途径。

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