Heavy Doping and Band Engineering by Potassium to Improve the Thermoelectric Figure of Merit in p-Type PbTe, PbSe, and PbTe1–ySey

Zhang, Qian; Cao, Feng; Liu, Weishu; Lukas, Kevin; Yu, Bo; Chen, Shuo; Opeil, Cyril; Broido, David; Chen, Gang; Ren, Zhifeng

doi:10.1021/ja301245b

Heavy Doping and Band Engineering by Potassium to Improve the Thermoelectric Figure of Merit in p-Type PbTe, PbSe, and PbTe_1–ySe_y

Journal Article · Thu May 24 00:00:00 EDT 2012 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/ja301245b· OSTI ID:1386807

Zhang, Qian ^[1]; Cao, Feng ^[1]; Liu, Weishu ^[1]; Lukas, Kevin ^[1]; Yu, Bo ^[1]; Chen, Shuo ^[1]; Opeil, Cyril ^[1]; Broido, David ^[1]; Chen, Gang ^[2]; Ren, Zhifeng ^[1]

Boston College, Chestnut Hill, MA (United States). Dept. of Physics
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering

Here we present detailed studies of potassium doping in PbTe_1–ySe_y (y = 0, 0.15, 0.25, 0.75, 0.85, 0.95, and 1). It was found that Se increases the doping concentration of K in PbTe as a result of the balance of electronegativity and also lowers the lattice thermal conductivity because of the increased number of point defects. Tuning the composition and carrier concentration to increase the density of states around the Fermi level results in higher Seebeck coefficients for the two valence bands of PbTe_1–ySe_y. Peak thermoelectric figure of merit (ZT) values of ~1.6 and ~1.7 were obtained for Te-rich K_0.02Pb_0.98Te_0.75Se_0.25 at 773 K and Se-rich K_0.02Pb_0.98Te_0.15Se_0.85 at 873 K, respectively. However, the average ZT was higher in Te-rich compositions than in Se-rich compositions, with the best found in K_0.02Pb_0.98Te_0.75Se_0.25. Such a result is due to the improved electron transport afforded by heavy K doping with the assistance of Se.

View Accepted Manuscript (DOE)

Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0001299

OSTI ID:: 1386807

Alternate ID(s):: OSTI ID: 1067090

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 24 Vol. 134; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Achieving high-performance p-type SmMg ₂ Bi ₂ thermoelectric materials through band engineering and alloying effects Saparamadu, Udara; Tan, Xiaojian; Sun, Jifeng Journal of Materials Chemistry A, Vol. 8, Issue 31 https://doi.org/10.1039/c9ta13224d	journal	January 2020
Thermoelectric properties of Cu ₄ Ge ₃ Se ₅ with an intrinsic disordered zinc blende structure Shan, Bing; Lin, Siqi; Bu, Zhonglin Journal of Materials Chemistry A, Vol. 8, Issue 6 https://doi.org/10.1039/c9ta14068a	journal	January 2020
Thermoelectric properties of p -type PbTe/Ag ₂ Te bulk composites by extrinsic phase mixing Lee, Min Ho; Rhyee, Jong-Soo AIP Advances, Vol. 5, Issue 12 https://doi.org/10.1063/1.4938565	journal	December 2015
High thermoelectric performance by resonant dopant indium in nanostructured SnTe Zhang, Q.; Liao, B.; Lan, Y. Proceedings of the National Academy of Sciences, Vol. 110, Issue 33, p. 13261-13266 https://doi.org/10.1073/pnas.1305735110	journal	July 2013
Relationship between thermoelectric figure of merit and energy conversion efficiency Kim, Hee Seok; Liu, Weishu; Chen, Gang Proceedings of the National Academy of Sciences, Vol. 112, Issue 27 https://doi.org/10.1073/pnas.1510231112	journal	June 2015
Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping Liu, Zihang; Sun, Jifeng; Mao, Jun Proceedings of the National Academy of Sciences, Vol. 115, Issue 21 https://doi.org/10.1073/pnas.1802020115	journal	May 2018
Thermoelectric performance of PbSnTeSe high-entropy alloys Fan, Zhao; Wang, Hui; Wu, Yuan Materials Research Letters https://doi.org/10.1080/21663831.2016.1244116	journal	October 2016
Thermoelectric performance of (GeTe) _1−x (Sb ₂ Te ₃ ) _x fabricated by high pressure sintering method Dong, Yuan; Li, Hongtao; Xu, Guiying Materials Research Express, Vol. 6, Issue 12 https://doi.org/10.1088/2053-1591/ab6c1f	journal	December 2019
Unusual lattice thermal conductivity in the simple crystalline compounds TlXTe2(X=Ga,In) Wu, Minghui; Huang, Li Physical Review B, Vol. 100, Issue 7 https://doi.org/10.1103/physrevb.100.075207	journal	August 2019
Thermal conductivity in PbTe from first principles Romero, A. H.; Gross, E. K. U.; Verstraete, M. J. Physical Review B, Vol. 91, Issue 21 https://doi.org/10.1103/physrevb.91.214310	journal	June 2015
Limit of z T enhancement in rocksalt structured chalcogenides by band convergence Hong, Min; Chen, Zhi-Gang; Pei, Yanzhong Physical Review B, Vol. 94, Issue 16 https://doi.org/10.1103/physrevb.94.161201	journal	October 2016
Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe Zhao, L.-D.; Tan, G.; Hao, S. Science, Vol. 351, Issue 6269, p. 141-144 https://doi.org/10.1126/science.aad3749	journal	November 2015
BiCuSeO oxyselenides: new promising thermoelectric materials [BiCuSeO оксиселенид - жаңа келешегi жоғары термоэлектрлiк материал ретiнде] Faiz, A.; Abuova, F.; Shaken, N. Bulletin of L.N. Gumilyov Eurasian National University. PHYSICS. ASTRONOMY Series, Vol. 128, Issue 3 https://doi.org/10.32523/2616-68-36-2019-128-3-160-165	journal	January 2019
Optimization of Ca14MgSb11 through Chemical Substitutions on Sb Sites: Optimizing Seebeck Coefficient and Resistivity Simultaneously Hu, Yufei; Lee, Kathleen; Kauzlarich, Susan Crystals, Vol. 8, Issue 5 https://doi.org/10.3390/cryst8050211	journal	May 2018
Is LiI a Potential Dopant Candidate to Enhance the Thermoelectric Performance in Sb-Free GeTe Systems? A Prelusive Study Srinivasan, Bhuvanesh; Berthebaud, David; Mori, Takao Energies, Vol. 13, Issue 3 https://doi.org/10.3390/en13030643	journal	February 2020

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