Unlocking the thermoelectric potential of the Ca₁₄AlSb₁₁ structure type.

ABSTRACT: Yb₁₄MnSb₁₁ and Yb₁₄MgSb₁₁ are among the best p-type high-temperature (>1200 K) thermoelectric materials, yet other compounds of this Ca₁₄AlSb₁₁ structure type have not matched their stability and efficiency. First-principles computations show that the features in the electronic structures that have been identified to lead to high thermoelectric performances are present in Yb₁₄ZnSb₁₁, which has been presumed to be a poor thermoelectric material. We show that the previously reported low power factor of Yb₁₄ZnSb₁₁ is not intrinsic and is due to the presence of a Yb₉Zn_4+xSb₉ impurity uniquely present in the Zn system. Phase-pure Yb₁₄Zn

SUBMITTER: Justl AP 

PROVIDER: S-EPMC9451163 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature