Comparative study of the Zn1-xCdxSb and (Zn1-zCdz)13Sb10 solid solution series

Comparison of the (Zn1-zCdz)13Sb10 and Zn1-xCdxSb series allows better understanding of changes in the transport properties brought by the Cd substitution. Incorporation of a single dopant affects charge transport properties non-monotonously, and these changes are likely dependent on the intrinsic properties of the main phase. The dominant phonon scattering pathway in both solution series remains the Umklapp process even when the Zn:Cd ratio is 1:1, contrary to the expected point defect scattering. Lastly, the electron localization function (ELF) calculations suggested that the bonding character in ZnSb and Zn13Sb10 is well-described using the Zintl-Klemm concept, as a mix of covalent and ionic interactions.