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Crystal structure and thermoelectric properties of type-III clathrate compounds in the Ba–In–Ge system
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10.1063/1.2803745
/content/aip/journal/jap/102/9/10.1063/1.2803745
http://aip.metastore.ingenta.com/content/aip/journal/jap/102/9/10.1063/1.2803745

Figures

Image of FIG. 1.
FIG. 1.

Encapsulating cage structures, pentagonal dodecahedron, open dodecahedron, and distorted cube of the type-III clathrate compound. The white and black spheres stand for trigonally (Tr) and tertragonally (Tt) bonded framework atoms, respectively.

Image of FIG. 2.
FIG. 2.

SEM backscattered electron images of with (a) , (b) , (c) , (d) , (e) , and (f) .

Image of FIG. 3.
FIG. 3.

Portions of the ternary phase diagram in the Ba–In–Ge system at . Two different triangles corresponding to the three-phase regions [-I -III clathrate and type-III -I ] are located near the Ge and In corners, respectively. The open circles correspond to the nominal compositions of the specimens used.

Image of FIG. 4.
FIG. 4.

Values of (a) electrical resistivity, (b) Seebeck coefficient, and (c) thermoelectric power factor for alloys with plotted as a function of temperature. Data points for the alloy are also plotted for comparison.

Image of FIG. 5.
FIG. 5.

(a) Values of thermal conductivity for alloys up to plotted as a function of temperature. Data points for the alloy are also plotted for comparison. (b) Values of electronic and lattice thermal conductivity for alloys at room temperature plotted as a function of In content . Data points similarly calculated for alloys are also plotted.

Image of FIG. 6.
FIG. 6.

Dimensionless figure of merit for alloys with plotted as a function of temperature. Data points for the alloy are also plotted for comparison.

Image of FIG. 7.
FIG. 7.

Average bond lengths between the Ba guest atoms and encapsulating cage atoms and those between the encapsulating atoms plotted as a function of In content obtained by EDS and Rietveld analyses.

Image of FIG. 8.
FIG. 8.

Values of ADP for guest and framework atoms in the type-III clathrate compound, plotted as a function of temperature.

Tables

Generic image for table
Table I.

Indium content for the type-III and type-I phases present in the specimens obtained by EDS analyses. In the analyses, all the sites are assumed to be fully occupied.

Generic image for table
Table II.

Results of Rietveld refinement for the type-III clathrate phase in the specimens with . [Atomic positions are ; ; ; ; ; ; ; ; and .]

Generic image for table
Table III.

Einstein temperatures , Debye temperature , and disorder parameters evaluated from the temperature dependence of ADPs for together with corresponding values obtained for .

Generic image for table
Table IV.

The average atomic weight of crystal and the average volume occupied by an atom in and .

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/content/aip/journal/jap/102/9/10.1063/1.2803745
2007-11-06
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Crystal structure and thermoelectric properties of type-III clathrate compounds in the Ba–In–Ge system
http://aip.metastore.ingenta.com/content/aip/journal/jap/102/9/10.1063/1.2803745
10.1063/1.2803745
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