Abstract
The samples of ZrNi1-хVxSn solid solution (x = 0 – 0.10) based on the ZrNiSn half-Heusler phase (MgAgAs structure type) were synthesized by direct arc-melting with homogenous annealing at 1073 K. The electrokinetic and energy state characteristics of the ZrNi1-хVxSn semiconducting solid solution were investigated in the temperature range T = 80 - 400 K. An analysis of behavior of the electrokinetic and energetic characteristics, in particular, the motion rate of the Fermi level, ΔεF/Δx for ZrNi1-хVxSn, allows to assume about the simultaneous generation of the structural defects of donor and acceptor nature in the crystal. The additional researches are required to establish the mechanisms of donor generation.
Highlights
One of the methods for optimization of the thermoelectric characteristics of materials is the doping of intermetallic semiconducting compounds with a structure type MgAgAs by different types of impurities in all three crystallographic positions of the initial structure
It is logical to get an answer to the question concerning the behavior of the V atoms in the structure of the ZrNiSn half-Heusler phase when they are included in the structure by substitution of Ni atoms in 4c position that would result in the generation of the structural defects of acceptor nature in ZrNi1-хVxSn? Will it be under these conditions energetically possible to occupy the crystallographic position 4a of Zr atoms by V atoms, while generating the structural defects of the donor nature? This formulation of the problem for ZrNi1-хVxSn semiconducting solid solution is a mirror image to the already studied case of the Zr1-xVxNiSn solid solution [6,7]
After performed structural studies of the ZrNi1-хVxSn solid solution we do not have complete information about its crystal structure. Does this mean that we are not entitled to obtain an adequate electronic structure of ZrNi1-хVxSn? After all, there is a problem in which way to construct a WignerSeitz cell and what statistical mixture of atoms is placed in its crystallographic sites to calculate density of electronic states (DOS)? The first step to solving this problem is the study of the electrokinetic properties of ZrNi1-хVxSn which will allow to obtain the energetic characteristics of the semiconductor and to use them for modeling of an adequate electronic structure
Summary
One of the methods for optimization of the thermoelectric characteristics of materials is the doping of intermetallic semiconducting compounds with a structure type MgAgAs (half-Heusler phases) by different types of impurities in all three crystallographic positions of the initial structure. An analysis of the obtained results in Refs.[6,7] showed that the only reason of the "inhibition" of the Fermi level εF is simultaneous generation of the donors and structural defects of acceptor nature in the Zr1-xVxNiSn solid solution by the mechanism described above In this context, it is logical to get an answer to the question concerning the behavior of the V atoms in the structure of the ZrNiSn half-Heusler phase when they are included in the structure by substitution of Ni atoms in 4c position that would result in the generation of the structural defects of acceptor nature in ZrNi1-хVxSn? It is logical to get an answer to the question concerning the behavior of the V atoms in the structure of the ZrNiSn half-Heusler phase when they are included in the structure by substitution of Ni atoms in 4c position that would result in the generation of the structural defects of acceptor nature in ZrNi1-хVxSn? Will it be under these conditions energetically possible to occupy the crystallographic position 4a of Zr atoms by V atoms, while generating the structural defects of the donor nature? This formulation of the problem for ZrNi1-хVxSn semiconducting solid solution is a mirror image to the already studied case of the Zr1-xVxNiSn solid solution [6,7]
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