Research on a New Semiconductor Thermoelectric Material n-Zr1-xNbxNiSn. I. Experimental Results, Дослідження нового напівпровідникового термоелектричного матеріалу n-Zr1-xNbxNiSn. I. Результати експерименту

<jats:p>The structural, electrokinetic, energetic, and magnetic properties of the new semiconductor thermoelectric material n-Zr1-xNbxNiSn, х = 0–0.07, obtained by doping n-ZrNiSn with Nb atoms (4d45s1) by replacing Zr atoms (4d25s2) were investigated. The nature of the generated energy states and mechanisms of electrical conductivity were established. It was shown that in the n-Zr1-xNbxNiSn structure, there is a simultaneous substitution of Zr atoms by Nb atoms in different ratios, as well as the occupation of tetrahedral voids of the structure by Nb atoms. The decrease in the unit cell parameter a(x) of n-Zr1-xNbxNiSn at concentrations 0 &lt; x ≤ 0.05 is caused by the preferential partial substitution of Zr atoms (rZr = 0.1602 nm) by Nb atoms (rNb = 0.1468 nm), and the increase in the lattice parameter a(x) at x &gt; 0.05 is caused by the preferential occupation of tetrahedral voids of the structure by Nb atoms. Structural transformations of n-Zr1-xNbxNiSn generate two types of defects of donor nature and the corresponding energy states of the band gap εg, which meet the condition for obtaining the maximum efficiency of converting thermal energy into electrical energy. It is shown that the n-Zr1-xNbxNiSn semiconductor is a promising thermoelectric material.</jats:p>