Using materials quality factor BΔΕ∗ for design of thermoelectric materials with multiple bands

X. Jia; S. Li; Z. Zhang; Y. Deng; X. Li; Y. Cao; Y. Yan; J. Mao; J. Yang; Q. Zhang; X. Liu

doi:10.1016/j.mtphys.2021.100371

Using materials quality factor B_ΔΕ∗ for design of thermoelectric materials with multiple bands

X. Jia, S. Li, Z. Zhang, Y. Deng, X. Li, Y. Cao, Y. Yan, J. Mao, J. Yang, Q. Zhang, X. Liu

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

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 k_BT 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 B_ΔE^∗, 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 B_ΔE^∗ appears when x = 0.8 for (Yb_0.9Mg_0.1)Mg_xZn_2-xSb₂, leading to the highest ZT value at this composition.

Original language	English
Article number	100371
Journal	Materials Today Physics
Volume	18
DOIs	https://doi.org/10.1016/j.mtphys.2021.100371
State	Published - May 2021
Externally published	Yes

Keywords

Band offset
Multiple bands
Quality factor
Thermoelectric materials

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10.1016/j.mtphys.2021.100371

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title = "Using materials quality factor BΔΕ∗ for design of thermoelectric materials with multiple bands",

abstract = "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 BΔE∗, 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 BΔE∗ appears when x = 0.8 for (Yb0.9Mg0.1)MgxZn2-xSb2, leading to the highest ZT value at this composition.",

keywords = "Band offset, Multiple bands, Quality factor, Thermoelectric materials",

author = "X. Jia and S. Li and Z. Zhang and Y. Deng and X. Li and Y. Cao and Y. Yan and J. Mao and J. Yang and Q. Zhang and X. Liu",

note = "Publisher Copyright: {\textcopyright} 2021 Elsevier Ltd",

year = "2021",

month = may,

doi = "10.1016/j.mtphys.2021.100371",

language = "英语",

volume = "18",

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TY - JOUR

T1 - Using materials quality factor BΔΕ∗ for design of thermoelectric materials with multiple bands

AU - Jia, X.

AU - Li, S.

AU - Zhang, Z.

AU - Deng, Y.

AU - Li, X.

AU - Cao, Y.

AU - Yan, Y.

AU - Mao, J.

AU - Yang, J.

AU - Zhang, Q.

AU - Liu, X.

PY - 2021/5

Y1 - 2021/5

N2 - 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 BΔE∗, 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 BΔE∗ appears when x = 0.8 for (Yb0.9Mg0.1)MgxZn2-xSb2, leading to the highest ZT value at this composition.

AB - 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 BΔE∗, 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 BΔE∗ appears when x = 0.8 for (Yb0.9Mg0.1)MgxZn2-xSb2, leading to the highest ZT value at this composition.

KW - Band offset

KW - Multiple bands

KW - Quality factor

KW - Thermoelectric materials

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DO - 10.1016/j.mtphys.2021.100371

M3 - 文章

AN - SCOPUS:85101580303

SN - 2542-5293

VL - 18

JO - Materials Today Physics

JF - Materials Today Physics

M1 - 100371

ER -

Using materials quality factor B_ΔΕ∗ for design of thermoelectric materials with multiple bands

Abstract

Keywords

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