Electronic structure of thermoelectric Zn–Sb

Abstract

The electronic structures of the two main compounds of the binary zinc antimonides that are stable at room temperature, Zn(1)Sb(1) and β-Zn(4)Sb(3), were probed with x-ray photoelectron spectroscopy. Additionally, electron energy loss measurements and density functional theory calculations are presented. The compounds are found to share a very similar electronic structure. They both feature only small charge transfers and differ moderately in their screening potentials. These results are in line with recent theoretical works on the Zn-Sb system and are discussed in light of the reported thermoelectric performance of the materials.