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Improved carrier concentration control in Zn-doped Ca_5Al_2Sb_6

Zevalkink, Alex and Toberer, Eric S. and Bleith, Tim and Flage-Larsen, Espen and Snyder, G. Jeffrey (2011) Improved carrier concentration control in Zn-doped Ca_5Al_2Sb_6. Journal of Applied Physics, 110 (1). Art. No. 013721. ISSN 0021-8979.

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Ca_5Al_2Sb_6 is an inexpensive, Earth-abundant compound that exhibits promising thermoelectric efficiency at temperatures suitable for waste heat recovery. Inspired by our previous study of p-type Ca_(5−x)Na_xAl_2Sb_6, this work investigates doping with Zn^(2+) on the Al^(3+) site (Ca_5Al_(2−x)Zn_xSb_6). We find Zn to be an effective p-type dopant, in contrast to the low solubility limit and poor doping efficiency of Na. Seebeck coefficient measurements indicate that the hole band mass is unaffected by the dopant type in the high-zT temperature range. Band structure and density of states calculations are employed in order to understand the carrier concentration-dependent effective mass. Ca_5Al_(2−x)Zn_xSb_6 has a low lattice thermal conductivity that approaches the predicted minimum value at high temperature (1000 K) due to the complex crystal structure and high mass contrast.

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Snyder, G. Jeffrey0000-0003-1414-8682
Additional Information:© 2011 American Institute of Physics. Received 1 April 2011; accepted 1 June 2011; published online 14 July 2011. We gratefully acknowledge the support of the Jet Propulsion Laboratory and the National Science Foundation. Espen Flage-Larsen would also like to thank the Norwegian Research Council for financial support and the Norwegian Metacenter for Computational Science for computational resources.
Funding AgencyGrant Number
Norwegian Research CouncilUNSPECIFIED
Norwegian Metacenter for computational ScienceUNSPECIFIED
Subject Keywords:aluminium compounds, band structure, calcium compounds, crystal structure, doping, effective mass, electronic density of states, hole density, Seebeck effect, solubility, thermal conductivity, zinc compounds
Issue or Number:1
Classification Code:PACS: 72.20.Pa; 72.80.Sk; 61.72.up; 61.66.Fn; 71.18.+y; 71.20.Ps
Record Number:CaltechAUTHORS:20110804-094001660
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Official Citation:Improved carrier concentration control in Zn-doped Ca5Al2Sb6 Alex Zevalkink, Eric S. Toberer, Tim Bleith, Espen Flage-Larsen, and G. Jeffrey Snyder J. Appl. Phys. 110, 013721 (2011); doi:10.1063/1.3607976 (5 pages) Online Publication Date: 14 July 2011
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:24675
Deposited By: Ruth Sustaita
Deposited On:04 Aug 2011 17:51
Last Modified:03 Mar 2020 13:01

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