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The half Heusler system Ti1+xFe1.33−xSb-TiCoSb with Sb/Sn substitution: phase relations, crystal structures and thermoelectric properties

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By A. Grytsiv, A. Tavassoli, Wiedner Hauptstr
| Royal Society of Chemistry Verified
Investigations of phase relations in the ternary system Ti–Fe–Sb show that the single-phase region of the Heusler phase is significantly shifted from stoichiometric TiFeSb (reported previously in the literature) to the Fe-rich composition TiFe Sb. This compound also exhibits Fe/Ti substitution according to Ti Fe Sb (?0.17 ? x ? 0.25 at 800 °C). Its stability, crystal symmetry and site preference were established by using X-ray powder techniques and were backed by DFT calculations.
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