TY - JOUR AU - Romaka, V.V. AU - Stadnyk, Yu.V. AU - Rogl, P.F. AU - Romaka, L.P. AU - Krayovskyy, V.Ya. AU - Horpenyuk, A.Ya. AU - Horyn, A.M. PY - 2021/05/13 Y2 - 2024/03/29 TI - Mechanism of Defect Formation in Zr1 – xVxNiSn Thermoelectric Material JF - Ukrainian Journal of Physics JA - Ukr. J. Phys. VL - 66 IS - 4 SE - Semiconductors and dielectrics DO - 10.15407/ujpe66.4.333 UR - https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2020043 SP - 333 AB - <p>Crystal and electronic structure, transport and energy state characteristics of the Zr<sub>1−x</sub>V<sub>x</sub> NiSn (0.01 ≤ x ≤ 0.1) thermoelectric material are investigated in the 80–400 K temperature interval. A mechanism of simultaneous generation of structural defects of the acceptor and donor nature, which determines the electric conductivity of the material, is established. It is shown that energetically expedient is a simultaneous occupation of the 4c position of Ni (3d<sup>8</sup>4s<sup>2</sup>) atoms by V (3d<sup>3</sup>4s<sup>2</sup>) atoms, which generates structural defects of the acceptor nature and the impurity acceptor band Ꜫ<sup>1</sup><sub>A</sub>, as well as the 4a position of Zr (4d<sup>2</sup>5s<sup>2</sup>) atoms, generating structural defects of the donor nature and the impurity donor band Ꜫ<sup>2</sup><sub>D</sub>.</p> ER -