Synthesis, electronic transport and magnetic properties of Zr1−xYxNiSn, (x=0–0.25) solid solutions

The crystal structure of the Zr1−xYxNiSn half-Heusler solid solutions is synthesized and their crystal structure is determined. Electrical resistivity and thermoelectric Seebeck coefficient are measured in the 80–380 K temperature range, whereas magnetic susceptibility is measured at 290 K. It is established that substitution of Zr host atoms by Y in the ZrNiSn intermetallic semiconductor is equivalent to doping by acceptor impurities. Self-consistent ab initio calculations, based on the full potential local orbital (FPLO) minimum basis method, are performed to investigate the electronic and thermoelectric properties of these alloys. Spin polarized within the framework of the coherent potential approximation (CPA) are included.

Both approaches experimental and calculations point to the same conclusions. Resistivity and thermopower measurements assert that doping of ZrNiSn based compound by the Y as acceptor impurity induces the insulator–metal transition and leads the S value sign reverse.Figure optionsDownload as PowerPoint slide