TY - JOUR
T1 - Discovery of multivalley Fermi surface responsible for the high thermoelectric performance in Yb14MnSb11and Yb14MgSb11
AU - Perez, Christopher J.
AU - Wood, Maxwell
AU - Ricci, Francesco
AU - Yu, Guodong
AU - Vo, Trinh
AU - Bux, Sabah K.
AU - Hautier, Geoffroy
AU - Rignanese, Gian Marco
AU - Snyder, G. Jeffrey
AU - Kauzlarich, Susan M.
N1 - Funding Information:
This work was supported by the NSF (DMR-1709382 and DMR-2001156-0) and the NASA Science Missions Directorate's Radioisotope Power Systems Program. Part of this work was conducted at the Jet Propulsion Laboratory California Institute of Technology under contract with the National Aeronautics and Space Administration with funding from the Science Mission Directorate's Radioisotope Power Systems program. G.Y. and F.R. acknowledge financial support from the F.R.S.-FNRS project HTBaSE (contract no. PDR-T.1071.15) and the Low Cost ThermoElectric Devices (LOCOTED) project funded by the Région Wallonne (Programmes FEDER). Computational resources have been provided by the supercomputing facilities of the Consortium des Equipements de Calcul Intensif en Fédération Wallonie-Bruxelles de (CECI) funded by the F.R.S.-FNRS, and the Tier-1 supercomputer of the Fédération Wallonie-Bruxelles, infrastructure funded by the Walloon Region under the grant agreement number 1117545.
Publisher Copyright:
© 2021 American Association for the Advancement of Science. All rights reserved.
PY - 2021/1/20
Y1 - 2021/1/20
N2 - The Zintl phases, Yb14MSb11(M = Mn, Mg, Al, Zn), are now some of the highest thermoelectric efficiency p-type materials with stability above 873 K. Yb14MnSb11gained prominence as the first p-type thermoelectric material to double the efficiency of SiGe alloy, the heritage material in radioisotope thermoelectric generators used to power NASA's deep space exploration. This study investigates the solid solution of Yb14Mg1-xAlxSb11(0 ≤ x ≤ 1), which enables a full mapping of the metal-to-semiconductor transition. Using a combined theoretical and experimental approach, we show that a second, high valley degeneracy (Nv = 8) band is responsible for the groundbreaking performance of Yb14MSb11. This multiband understanding of the properties provides insight into other thermoelectric systems (La3-xTe4, SnTe, Ag9AlSe6, and Eu9CdSb9), and the model predicts that an increase in carrier concentration can lead to zT > 1.5 in Yb14MSb11systems.
AB - The Zintl phases, Yb14MSb11(M = Mn, Mg, Al, Zn), are now some of the highest thermoelectric efficiency p-type materials with stability above 873 K. Yb14MnSb11gained prominence as the first p-type thermoelectric material to double the efficiency of SiGe alloy, the heritage material in radioisotope thermoelectric generators used to power NASA's deep space exploration. This study investigates the solid solution of Yb14Mg1-xAlxSb11(0 ≤ x ≤ 1), which enables a full mapping of the metal-to-semiconductor transition. Using a combined theoretical and experimental approach, we show that a second, high valley degeneracy (Nv = 8) band is responsible for the groundbreaking performance of Yb14MSb11. This multiband understanding of the properties provides insight into other thermoelectric systems (La3-xTe4, SnTe, Ag9AlSe6, and Eu9CdSb9), and the model predicts that an increase in carrier concentration can lead to zT > 1.5 in Yb14MSb11systems.
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U2 - 10.1126/sciadv.abe9439
DO - 10.1126/sciadv.abe9439
M3 - Article
C2 - 33523935
AN - SCOPUS:85099942456
SN - 2375-2548
VL - 7
JO - Science advances
JF - Science advances
IS - 4
M1 - eabe9439
ER -