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Thermoelectric properties of -type LiZnSb: Assessment of ab initio calculations
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View: Figures


Image of FIG. 1.
FIG. 1.

LiZnSb is built of a wurtzite structure of Zn–Sb with interstitial lithium ions (red).

Image of FIG. 2.
FIG. 2.

Powder XRD pattern, Rietveld refinement to the LiZnSb structure, and difference profile.

Image of FIG. 3.
FIG. 3.

Hall effect and van der Pauw resistivity results from two on-stoichiometry samples of LiZnSb. (a) The carrier concentration is dominated by extrinsic holes and (b) the mobility decays with temperature, leading to a (c) resistivity that rises linearly, as one would expect for a heavily doped semiconductor.

Image of FIG. 4.
FIG. 4.

Seebeck coefficient measurements for the two on-stoichiometry samples measured in Fig. 3.

Image of FIG. 5.
FIG. 5.

Seebeck coefficient curves for -type LiZnSb predicted by Madsen at 500 K (, ) and from the SPB model of classic Boltzmann transport theory under the CRTA. Experimental 500 K data from the samples reported in this work shown as circles.

Image of FIG. 6.
FIG. 6.

Thermal conductivity measurements of two nominally on-stoichiometry LiZnSb samples and the lattice thermal conductivity obtained from subtraction of the electronic thermal conductivity from .

Image of FIG. 7.
FIG. 7.

(a) Figure of merit of the two -type LiZnSb samples described in Figs. 3–6. (b) Approximate and at 500 K with carrier concentration dependence derived from power factor curve by Madsen, a constant approximation, and experimentally determined lattice thermal conductivity. Solid curve generated using a SPB model of classic Boltzmann transport theory under the CRTA.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Thermoelectric properties of p-type LiZnSb: Assessment of ab initio calculations