Materials Today Physics ( IF 11.5 ) Pub Date : 2021-02-18 , DOI: 10.1016/j.mtphys.2021.100371 X. Jia , S. Li , Z. Zhang , Y. Deng , X. Li , Y. Cao , Y. Yan , J. Mao , J. Yang , Q. Zhang , X. Liu
The quality factor B involving carrier mobility, state density effective mass, and lattice thermal conductivity has always been regarded as the guidance for the thermoelectric materials design. However, the traditional quality factor considers a single band and neglects the influence of band gap and the sub-band, whose edge energy is 5 kBT lower than valence band maximum for the p-type or higher than conduction band minimum for n-type semiconductor. In this work, we took into account the band gap and second band based on the three-parabolic-band model and derived an advanced quality factor , which is better proportional to the peak ZT values of many compounds with multiple bands. A specific example is also validated based on this quality factor that a highest appears when x = 0.8 for (Yb0.9Mg0.1)MgxZn2-xSb2, leading to the highest ZT value at this composition.
中文翻译:
使用材料的品质因数乙ΔΕ *与多频段热电材料的设计
涉及载流子迁移率,态密度有效质量和晶格热导率的品质因数B一直被视为热电材料设计的指南。然而,传统的品质因数只考虑单个频带,而忽略了带隙和子带的影响,其边沿能量比p型的价带最大价低5 k B T或n-值的导带最小价高。型半导体。在这项工作中,我们基于三抛物带模型考虑了带隙和第二带,并推导了先进的品质因数,它与许多具有多个谱带的化合物的ZT峰值成正比。还根据此品质因数验证了一个特定示例,该示例当 (Yb 0.9 Mg 0.1)Mg x Zn 2- x Sb 2的x = 0.8时出现,导致该组成下的ZT值最高。