Structure and thermoelectric characterization of AxBa 8-xAl14Si31 (A = Sr, Eu) single crystals

Cathie L. Condron; Susan M. Kauzlarich; G. S. Nolas

doi:10.1021/ic062115v

Structure and thermoelectric characterization of A_xBa _8-xAl₁₄Si₃₁ (A = Sr, Eu) single crystals

Cathie L. Condron, Susan M. Kauzlarich, G. S. Nolas

Chemistry

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

40 Scopus citations

Abstract

Single crystals of A_xBa_8-xAl₁₄Si ₃₁ (A = Sr, Eu) were grown using a molten Al flux technique. Single-crystal X-ray diffraction confirms that A_xBa _8-xAl₁₄Si₃₁ (A = Sr, Eu) crystallize with the type I clathrate structure, and phase purity was determined with powder X-ray diffraction. Stoichiometry was determined to be Sr_0.7Ba _7.3Al₁₄Si₃₁ and Eu_0.3Ba _7.7-Al₁₄Si₃₁ by electron microprobe analysis. These A_xBa_8-xAl₁₄Si₃₁ phases can be described as framework-deficient clathrate type I structures with the general formula, A_xBa_8-xAl_ySi_42-3y/4[] _4-1/4y. DSC measurements indicate that these phases melt congruently at 1413 and 1415 K for Sr_0.7Ba_7.3Al₁₄Si ₃₁ and Eu_0.3Ba_7.7Al₁₄Si ₃₁, respectively. Temperature-dependent resistivity indicates metallic behavior, and the negative Seebeck coefficient indicates transport processes dominated by electrons as carriers. Thermal conductivity of these phases remains low with Sr_0.7Ba_7.3-Al₁₄Si ₃₁ having the lowest values.

Original language	English (US)
Pages (from-to)	2556-2562
Number of pages	7
Journal	Inorganic Chemistry
Volume	46
Issue number	7
DOIs	https://doi.org/10.1021/ic062115v
State	Published - Apr 2 2007

ASJC Scopus subject areas

Inorganic Chemistry

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title = "Structure and thermoelectric characterization of AxBa 8-xAl14Si31 (A = Sr, Eu) single crystals",

abstract = "Single crystals of AxBa8-xAl14Si 31 (A = Sr, Eu) were grown using a molten Al flux technique. Single-crystal X-ray diffraction confirms that AxBa 8-xAl14Si31 (A = Sr, Eu) crystallize with the type I clathrate structure, and phase purity was determined with powder X-ray diffraction. Stoichiometry was determined to be Sr0.7Ba 7.3Al14Si31 and Eu0.3Ba 7.7-Al14Si31 by electron microprobe analysis. These AxBa8-xAl14Si31 phases can be described as framework-deficient clathrate type I structures with the general formula, AxBa8-xAlySi42-3y/4[] 4-1/4y. DSC measurements indicate that these phases melt congruently at 1413 and 1415 K for Sr0.7Ba7.3Al14Si 31 and Eu0.3Ba7.7Al14Si 31, respectively. Temperature-dependent resistivity indicates metallic behavior, and the negative Seebeck coefficient indicates transport processes dominated by electrons as carriers. Thermal conductivity of these phases remains low with Sr0.7Ba7.3-Al14Si 31 having the lowest values.",

author = "Condron, {Cathie L.} and Kauzlarich, {Susan M.} and Nolas, {G. S.}",

year = "2007",

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AU - Nolas, G. S.

PY - 2007/4/2

Y1 - 2007/4/2

N2 - Single crystals of AxBa8-xAl14Si 31 (A = Sr, Eu) were grown using a molten Al flux technique. Single-crystal X-ray diffraction confirms that AxBa 8-xAl14Si31 (A = Sr, Eu) crystallize with the type I clathrate structure, and phase purity was determined with powder X-ray diffraction. Stoichiometry was determined to be Sr0.7Ba 7.3Al14Si31 and Eu0.3Ba 7.7-Al14Si31 by electron microprobe analysis. These AxBa8-xAl14Si31 phases can be described as framework-deficient clathrate type I structures with the general formula, AxBa8-xAlySi42-3y/4[] 4-1/4y. DSC measurements indicate that these phases melt congruently at 1413 and 1415 K for Sr0.7Ba7.3Al14Si 31 and Eu0.3Ba7.7Al14Si 31, respectively. Temperature-dependent resistivity indicates metallic behavior, and the negative Seebeck coefficient indicates transport processes dominated by electrons as carriers. Thermal conductivity of these phases remains low with Sr0.7Ba7.3-Al14Si 31 having the lowest values.

AB - Single crystals of AxBa8-xAl14Si 31 (A = Sr, Eu) were grown using a molten Al flux technique. Single-crystal X-ray diffraction confirms that AxBa 8-xAl14Si31 (A = Sr, Eu) crystallize with the type I clathrate structure, and phase purity was determined with powder X-ray diffraction. Stoichiometry was determined to be Sr0.7Ba 7.3Al14Si31 and Eu0.3Ba 7.7-Al14Si31 by electron microprobe analysis. These AxBa8-xAl14Si31 phases can be described as framework-deficient clathrate type I structures with the general formula, AxBa8-xAlySi42-3y/4[] 4-1/4y. DSC measurements indicate that these phases melt congruently at 1413 and 1415 K for Sr0.7Ba7.3Al14Si 31 and Eu0.3Ba7.7Al14Si 31, respectively. Temperature-dependent resistivity indicates metallic behavior, and the negative Seebeck coefficient indicates transport processes dominated by electrons as carriers. Thermal conductivity of these phases remains low with Sr0.7Ba7.3-Al14Si 31 having the lowest values.

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