Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe

GeMnTe2 adopts a cubic rock salt structure and is a promising mid-temperature thermoelectric material. The pair distribution function analysis of neutron total scattering data, however, indicates that GeMnTe2 is locally distorted from the ideal rock salt structure with Ge2+ cations being discordant...

全面介绍

书目详细资料
Main Authors: Dong, Jinfeng, Jiang, Yilin, Sun, Yandong, Liu, Jue, Pei, Jun, Li, Wei, Tan, Xian Yi, Hu, Lei, Jia, Ning, Xu, Ben, Li, Qian, Li, Jingfeng, Yan, Qingyu, Kanatzidis, Mercouri G.
其他作者: School of Materials Science and Engineering
格式: Journal Article
语言:English
出版: 2023
主题:
在线阅读:https://hdl.handle.net/10356/166324
_version_ 1826128148178141184
author Dong, Jinfeng
Jiang, Yilin
Sun, Yandong
Liu, Jue
Pei, Jun
Li, Wei
Tan, Xian Yi
Hu, Lei
Jia, Ning
Xu, Ben
Li, Qian
Li, Jingfeng
Yan, Qingyu
Kanatzidis, Mercouri G.
author2 School of Materials Science and Engineering
author_facet School of Materials Science and Engineering
Dong, Jinfeng
Jiang, Yilin
Sun, Yandong
Liu, Jue
Pei, Jun
Li, Wei
Tan, Xian Yi
Hu, Lei
Jia, Ning
Xu, Ben
Li, Qian
Li, Jingfeng
Yan, Qingyu
Kanatzidis, Mercouri G.
author_sort Dong, Jinfeng
collection NTU
description GeMnTe2 adopts a cubic rock salt structure and is a promising mid-temperature thermoelectric material. The pair distribution function analysis of neutron total scattering data, however, indicates that GeMnTe2 is locally distorted from the ideal rock salt structure with Ge2+ cations being discordant and displaced ∼0.3 Å off the octahedron center. By alloying GeMnTe2 with SbTe, the carrier concentration can be tuned in GeMnTe2-x%SbTe (x = 15.1), leading to converged multiple broad valence bands and a high Seebeck coefficient of >200 μV K−1 from 300 to 823 K. The system exhibits a large density-of-state effective mass of >10 me and a high weighted mobility of 80 cm2 V−1 s−1, leading to a power factor of 15 μWcm−1 K−2 at 823 K. The composition GeMnTe2-15.1%SbTe exhibits very low lattice thermal conductivity of ∼0.5 Wm−1 K−1 at 823 K, attributed to the combination of oX-centering cations in the rock salt structure, Ge/Mn positional disorder, dislocations, and abundant Ge-rich and Mn-rich nanoparticles. A ZT value of ∼1.5 can be achieved for GeMnTe2-15.1%SbTe with a ZTave of 0.96 in the temperature range of 400−823 K.
first_indexed 2024-10-01T07:20:11Z
format Journal Article
id ntu-10356/166324
institution Nanyang Technological University
language English
last_indexed 2024-10-01T07:20:11Z
publishDate 2023
record_format dspace
spelling ntu-10356/1663242023-07-14T15:47:25Z Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe Dong, Jinfeng Jiang, Yilin Sun, Yandong Liu, Jue Pei, Jun Li, Wei Tan, Xian Yi Hu, Lei Jia, Ning Xu, Ben Li, Qian Li, Jingfeng Yan, Qingyu Kanatzidis, Mercouri G. School of Materials Science and Engineering Engineering::Materials::Energy materials Carrier Concentration Distribution Functions GeMnTe2 adopts a cubic rock salt structure and is a promising mid-temperature thermoelectric material. The pair distribution function analysis of neutron total scattering data, however, indicates that GeMnTe2 is locally distorted from the ideal rock salt structure with Ge2+ cations being discordant and displaced ∼0.3 Å off the octahedron center. By alloying GeMnTe2 with SbTe, the carrier concentration can be tuned in GeMnTe2-x%SbTe (x = 15.1), leading to converged multiple broad valence bands and a high Seebeck coefficient of >200 μV K−1 from 300 to 823 K. The system exhibits a large density-of-state effective mass of >10 me and a high weighted mobility of 80 cm2 V−1 s−1, leading to a power factor of 15 μWcm−1 K−2 at 823 K. The composition GeMnTe2-15.1%SbTe exhibits very low lattice thermal conductivity of ∼0.5 Wm−1 K−1 at 823 K, attributed to the combination of oX-centering cations in the rock salt structure, Ge/Mn positional disorder, dislocations, and abundant Ge-rich and Mn-rich nanoparticles. A ZT value of ∼1.5 can be achieved for GeMnTe2-15.1%SbTe with a ZTave of 0.96 in the temperature range of 400−823 K. Agency for Science, Technology and Research (A*STAR) Ministry of Education (MOE) Submitted/Accepted version Yan Qingyu acknowledges MOE ACRF Tier 1 RG128/21 and Singapore A*STAR project A19D9a0096. 2023-04-21T06:24:47Z 2023-04-21T06:24:47Z 2023 Journal Article Dong, J., Jiang, Y., Sun, Y., Liu, J., Pei, J., Li, W., Tan, X. Y., Hu, L., Jia, N., Xu, B., Li, Q., Li, J., Yan, Q. & Kanatzidis, M. G. (2023). Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe. Journal of the American Chemical Society, 145(3), 1988-1996. https://dx.doi.org/10.1021/jacs.2c12877 1520-5126 https://hdl.handle.net/10356/166324 10.1021/jacs.2c12877 3 145 1988 1996 en RG128/21 A19D9a0096 Journal of the American Chemical Society This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © 2023 American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/jacs.2c12877. application/pdf
spellingShingle Engineering::Materials::Energy materials
Carrier Concentration
Distribution Functions
Dong, Jinfeng
Jiang, Yilin
Sun, Yandong
Liu, Jue
Pei, Jun
Li, Wei
Tan, Xian Yi
Hu, Lei
Jia, Ning
Xu, Ben
Li, Qian
Li, Jingfeng
Yan, Qingyu
Kanatzidis, Mercouri G.
Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
title Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
title_full Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
title_fullStr Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
title_full_unstemmed Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
title_short Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
title_sort discordant distortion in cubic gemnte₂ and high thermoelectric properties of gemnte₂ x sbte
topic Engineering::Materials::Energy materials
Carrier Concentration
Distribution Functions
url https://hdl.handle.net/10356/166324
work_keys_str_mv AT dongjinfeng discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT jiangyilin discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT sunyandong discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT liujue discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT peijun discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT liwei discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT tanxianyi discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT hulei discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT jianing discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT xuben discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT liqian discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT lijingfeng discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT yanqingyu discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte
AT kanatzidismercourig discordantdistortionincubicgemnte2andhighthermoelectricpropertiesofgemnte2xsbte