Improved carrier concentration control in Zn-doped Ca5Al 2Sb6

Alex Zevalkink; Eric S. Toberer; Tim Bleith; Espen Flage-Larsen; G. Jeffrey Snyder

doi:10.1063/1.3607976

Improved carrier concentration control in Zn-doped Ca₅Al ₂Sb₆

Alex Zevalkink, Eric S. Toberer, Tim Bleith, Espen Flage-Larsen, G. Jeffrey Snyder^*

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

54 Scopus citations

Abstract

Ca₅Al₂Sb₆ 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-xNa_xAl₂Sb₆, this work investigates doping with Zn² on the Al³ site (Ca₅Al_2-xZn_xSb₆). 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-xZn_xSb₆ 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.

Original language	English (US)
Article number	013721
Journal	Journal of Applied Physics
Volume	110
Issue number	1
DOIs	https://doi.org/10.1063/1.3607976
State	Published - Jul 1 2011

Funding

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.

ASJC Scopus subject areas

General Physics and Astronomy

Access to Document

10.1063/1.3607976

Cite this

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title = "Improved carrier concentration control in Zn-doped Ca5Al 2Sb6",

abstract = "Ca5Al2Sb6 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 Ca5-xNaxAl2Sb6, this work investigates doping with Zn2 on the Al3 site (Ca5Al2-xZnxSb6). 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 5Al2-xZnxSb6 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.",

author = "Alex Zevalkink and Toberer, {Eric S.} and Tim Bleith and Espen Flage-Larsen and Snyder, {G. Jeffrey}",

note = "Funding Information: 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.",

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AU - Flage-Larsen, Espen

AU - Snyder, G. Jeffrey

N1 - Funding Information: 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.

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N2 - Ca5Al2Sb6 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 Ca5-xNaxAl2Sb6, this work investigates doping with Zn2 on the Al3 site (Ca5Al2-xZnxSb6). 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 5Al2-xZnxSb6 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.

AB - Ca5Al2Sb6 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 Ca5-xNaxAl2Sb6, this work investigates doping with Zn2 on the Al3 site (Ca5Al2-xZnxSb6). 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 5Al2-xZnxSb6 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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