Intrinsic nanostructure induced ultralow thermal conductivity yields enhanced thermoelectric performance in Zintl phase Eu2ZnSb2

Chen Chen, Zhenzhen Feng, Honghao Yao, Feng Cao, Bing-Hua Lei, Yumei Wang, Yue Chen (), David J. Singh () and Qian Zhang ()
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Chen Chen: Harbin Institute of Technology
Zhenzhen Feng: Henan University
Honghao Yao: Harbin Institute of Technology
Feng Cao: Harbin Institute of Technology
Bing-Hua Lei: University of Missouri
Yumei Wang: Chinese Academy of Science
Yue Chen: The University of Hong Kong
David J. Singh: University of Missouri
Qian Zhang: Harbin Institute of Technology

Nature Communications, 2021, vol. 12, issue 1, 1-9

Abstract: Abstract The Zintl thermoelectric phase Eu2ZnSb2 has a remarkable combination of high mobility and low thermal conductivity that leads to good thermoelectric performance. The key feature of this compound is a crystal structure that has a Zn-site with a 50% occupancy. Here we use comparison of experimental thermal conductivity measurements and first principles thermal conductivity calculations to characterize the thermal conductivity reduction. We find that partial ordering, characterized by local order, but Zn-site disorder on longer scales, leads to an intrinsic nanostructuring induced reduction in thermal conductivity, while retaining electron mobility. This provides a direction for identifying Zintl compounds with ultralow lattice thermal conductivity and good electrical conductivity.

Date: 2021
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DOI: 10.1038/s41467-021-25483-w

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