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Effect of antisite defects on band structure and thermoelectric performance of ZrNiSn half-Heusler alloys
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10.1063/1.3396981
/content/aip/journal/apl/96/15/10.1063/1.3396981
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/15/10.1063/1.3396981
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Total DOS of ZrNiSn obtained in calculation using different models (Zr/Sn antisite defect amount of model 1, model 2 and model 3 are 0%, 3.7%, and 7.4%, respectively). A Fermi smearing factor for DOS is set to 0.026 eV for all calculations.

Image of FIG. 2.
FIG. 2.

(a) Seebeck coefficient and (b) electrical resistivity as a function of temperature for all ZrNiSn samples. (c) annealing time dependence of the carrier concentration for all ZrNiSn samples at 300 K. (d) temperature dependence of power factor for all ZrNiSn samples.

Image of FIG. 3.
FIG. 3.

(a) Thermal conductivity as a function of temperature for all the ZrNiSn samples (b) value as a function of temperature for the unannealed ZrNiSn sample. Some reported data (Ref. 5) are shown for comparison.

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/content/aip/journal/apl/96/15/10.1063/1.3396981
2010-04-14
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of antisite defects on band structure and thermoelectric performance of ZrNiSn half-Heusler alloys
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/15/10.1063/1.3396981
10.1063/1.3396981
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