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Title: High figure of merit in Gallium-doped nanostructured n-type PbTe-xGeTe with midgap states
Authors: Luo, Zhong-Zhen
Cai, Songting
Hao, Shiqiang
Bailey, Trevor P.
Su, Xianli
Spanopoulos, Ioannis
Hadar, Ido
Tan, Gangjian
Luo, Yubo
Xu, Jianwei
Uher, Ctirad
Wolverton, Christopher
Dravid, Vinayak P.
Yan, Qingyu
Kanatzidis, Mercouri G.
Keywords: Engineering::Materials
Engineering::Materials::Functional materials
Issue Date: 2019
Source: Luo, Z., Cai, S., Hao, S., Bailey, T. P., Su, X., Spanopoulos, I., Hadar, I., Tan, G., Luo, Y., Xu, J., Uher, C., Wolverton, C., Dravid, V. P., Yan, Q. & Kanatzidis, M. G. (2019). High figure of merit in Gallium-doped nanostructured n-type PbTe-xGeTe with midgap states. Journal of the American Chemical Society, 141(40), 16169-16177.
Project: MOE 2018-T2-1- 010 
SERC 1527200021 
SERC 1527200022 
Journal: Journal of the American Chemical Society 
Abstract: PbTe-based thermoelectric materials are some of the most promising for converting heat into electricity, but their n-type versions still lag in performance the p-type ones. Here, we introduce midgap states and nanoscale precipitates using Ga-doping and GeTe-alloying to considerably improve the performance of n-type PbTe. The GeTe alloying significantly enlarges the energy band gap of PbTe and subsequent Ga doping introduces special midgap states that lead to an increased density of states (DOS) effective mass and enhanced Seebeck coefficients. Moreover, the nucleated Ga2Te3 nanoscale precipitates and off-center discordant Ge atoms in the PbTe matrix cause intense phonon scattering strongly reducing the thermal conductivity (~0.65 Wm−1K−1 at 623 K). As a result, a high room-temperature thermoelectric figure of merit ZT ~0.59 and a peak ZTmax of ~1.47 at 673 K were obtained for the Pb0.98Ga0.02Te-5%GeTe. The ZTavg value which is most relevant for devices is ~1.27 from 400-773 K, the highest recorded value for n-type PbTe.
ISSN: 0002-7863
DOI: 10.1021/jacs.9b09249
Schools: School of Materials Science and Engineering 
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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