Using an effective mass model, the changing valence band character of CaZn 2Sb 2–CaMg 2Sb 2 solid solution was probed along with the thermoelectric properties.
CaAl 2Si 2 type Zintl phases have long been known to be promising thermoelectric materials. Here we report for the first time on the thermoelectric properties of CaMg 2Sb 2 along with the transport properties of CaZn 2Sb 2–CaMg 2Sb 2 solid solution. The charge carrier tuning in this system was carried out by substituting divalent Ca 2+ with monovalent Na +. To check a possible band convergence, we applied an effective mass analysis to our samples and found an abrupt doubling of the samples' effective masses as the composition switches from Zn-rich to Mg-rich. We further analyzed the effect that alloy scattering plays in the lattice thermal conductivity of our samples with a Modified Klemens model. We showed that the reduction seen in the lattice thermal conductivity of the alloyed samples can be well explained based on the mass difference of Mg and Zn in the poly-anionic metal site. Our best p-doped sample with a composition of Ca .99Na .01MgZnSb 2 displays a relatively high peak zT of 0.87 at 850 K.