Compromise between band structure and phonon scattering in efficient n-Mg3Sb2-xBix thermoelectrics

Shi, Xuemin; Zhang, Xinyue; Ganose, Alexander; Park, Junsoo; Sun, Cheng; Chen, Zhiwei; Lin, Siqi; Li, Wen; Jain, Anubhav; Pei, Yanzhong

doi:10.1016/j.mtphys.2021.100362

Title: Compromise between band structure and phonon scattering in efficient n-Mg₃Sb_2-xBi_x thermoelectrics

Journal Article · Fri Feb 12 00:00:00 EST 2021 · Materials Today Physics

DOI:https://doi.org/10.1016/j.mtphys.2021.100362· OSTI ID:1867001

Shi, Xuemin ^[1]; Zhang, Xinyue ^[1]; Ganose, Alexander ^[2];

^[2]; Sun, Cheng ^[1]; Chen, Zhiwei ^[1]; Lin, Siqi ^[1]; Li, Wen ^[1]; Jain, Anubhav ^[2];

^[1]

Tongji Univ., Shanghai (China)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

n-type Mg₃Sb₂-based materials have become a top candidate for efficient thermoelectric applications within 300–700 K, due to its high band degeneracy, inherently high carrier mobility and low lattice thermal conductivity, as well as its advantages of less toxicity and abundance. Existing works showed that Mg₃Bi₂-alloying largely help ensure the exceptional performance, leaving a key issue to be uncovered on the primary mechanisms favoring or limiting the thermoelectric performance of Mg₃Sb_2-xBi_x alloys. Furthermore we focus on the alloy composition dependent transport properties at various temperatures, with a large volume of experimental data. It is revealed that, with increasing x, the reduction in both inertial mass and lattice thermal conductivity is significantly beneficial, but the closure in band gap leads to a strong compensation due to the bipolar effect. Such a compromise between band structure and phonon scattering results in optimal Mg₃Bi₂-alloying concentrations to be about 50%–75% at 300 K, 50%–60% at 450 K and 50% at 600 K, which successfully guiding this work to realize extraordinary thermoelectric figure of merit at these temperatures.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC)

Grant/Contract Number:: AC02-05CH11231; 51861145305; 51772215; 52001231

OSTI ID:: 1867001

Journal Information:: Materials Today Physics, Vol. 18; ISSN 2542-5293

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
Thermoelectric
Mg3Sb2–Mg3Bi2 alloys
Band structure
Bipolar effect
Phonon scattering

Title: Compromise between band structure and phonon scattering in efficient n-Mg3Sb2-xBix thermoelectrics

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Title: Compromise between band structure and phonon scattering in efficient n-Mg₃Sb_2-xBi_x thermoelectrics