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Phase stability and chemical composition dependence of the thermoelectric properties of the type-I clathrate Ba_(8)Al_(x)Si_(46−x) (8≤x≤15)

Tsujii, Naohito and Roudebush, John H. and Zevalkink, Alex and Cox-Uvarov, Catherine A. and Snyder, G. Jeffery and Kauzlarich, Susan M. (2011) Phase stability and chemical composition dependence of the thermoelectric properties of the type-I clathrate Ba_(8)Al_(x)Si_(46−x) (8≤x≤15). Journal of Solid State Chemistry, 184 (5). pp. 1293-1303. ISSN 0022-4596. http://resolver.caltech.edu/CaltechAUTHORS:20110608-112539654

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Abstract

Phase stability of the type-I clathrate compound Ba_(8)Al_(x)Si_(46−x) and the thermoelectric property dependence on chemical composition are presented. Polycrystalline samples were prepared by argon arc melting and annealing. Results of powder X-ray diffraction and electron microprobe analysis show that the type-I structure is formed without framework deficiency for 8≤x≤15. Lattice constant a increases linearly with the increase of x. Thermoelectric properties were measured for x=12, 14 and 15. The Seebeck coefficients are negative, with the absolute values increasing with x. The highest figure of merit zT=0.24 was observed for x=15 at T=1000 K, with carrier electron density n=3×10^(21) cm^(−3). A theoretical calculation based on the single parabolic band model reveals the optimum carrier concentration to be n~4×10^(20) cm^(−3), where zT~0.7 at T=1000K is predicted.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/j.jssc.2011.03.038DOIUNSPECIFIED
http://www.sciencedirect.com/science/article/pii/S0022459611001496PublisherUNSPECIFIED
Additional Information:© 2011 Elsevier Inc. Received 11 November 2010; revised 10 March 2011; accepted 20 March 2011. Available online 5 April 2011. This research was funded by NSF, DMR-0600742, and NASA. The work was partly supported by Japan Society for the Promotion of Science (JSPS). The authors gratefully acknowledge Dr. Sarah Roeske and Brian Joy for the microprobe analysis and the Jet Propulsion Laboratory for use of high temperature Hall and Seebeck measurement systems.
Funders:
Funding AgencyGrant Number
NSFDMR-0600742
NASAUNSPECIFIED
Japan Society for the Promotion of Science (JSPS)UNSPECIFIED
Subject Keywords:Clathrate compounds; Phase relation; Thermoelectric property
Record Number:CaltechAUTHORS:20110608-112539654
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20110608-112539654
Official Citation:Naohito Tsujii, John H. Roudebush, Alex Zevalkink, Catherine A. Cox-Uvarov, G. Jeffery Snyder, Susan M. Kauzlarich, Phase stability and chemical composition dependence of the thermoelectric properties of the type-I clathrate Ba8AlxSi46-x (8<=x<=15), Journal of Solid State Chemistry, Volume 184, Issue 5, May 2011, Pages 1293-1303, ISSN 0022-4596, DOI: 10.1016/j.jssc.2011.03.038.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:23945
Collection:CaltechAUTHORS
Deposited By: Jason Perez
Deposited On:09 Jun 2011 22:21
Last Modified:23 Aug 2016 10:02

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