Features of the Electrical Conductivity Mechanisms of the New Semiconductor Thermoelectric Material Hf1-xScxNiSn

V.A. Romaka; Yu.V. Stadnyk; L.P. Romaka; A.M. Horyn; V.V. Romaka; A.V. Zelinskiy

doi:10.63527/1607-8829-2026-3-5-18

Features of the Electrical Conductivity Mechanisms of the New Semiconductor Thermoelectric Material Hf1-xScxNiSn

Authors

V.A. Romaka National University “Lvivska Politechnika”, 12, S. Bandera Str., Lviv, 79013, Ukraine https://orcid.org/0000-0002-2984-9513
Yu.V. Stadnyk Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine https://orcid.org/0000-0003-0692-2973
L.P. Romaka Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine https://orcid.org/0000-0001-5793-4435
A.M. Horyn Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine https://orcid.org/0000-0003-3483-8808
V.V. Romaka Dresden University of Technology, Bergstrasse 66, 01069 Dresden, Germany https://orcid.org/0000-0002-6392-1355
A.V. Zelinskiy Ivan Franko National University of Lviv, 6, Kyryla and Mefodiya Str., Lviv, 79005, Ukraine https://orcid.org/0000-0001-8473-1174

DOI:

https://doi.org/10.63527/1607-8829-2026-3-5-18

Keywords:

thermoelectric material, semiconductor, electronic structure, electrical resistivity, thermopower coefficient.

Abstract

The structural, thermodynamic, energetic, electrokinetic, and magnetic properties of the new semiconductor thermoelectric material Hf_1-xSc_xNiSn, х=0–0.07, obtained by introducing Sc atoms into the structure of the HfNiSn compound by replacing Hf atoms, were investigated. The features of the transformation of the crystal and electronic structures, as well as the nature of the generated energy states and mechanisms of electrical conductivity, were established. Analysis of the electron density function based on Bader’s quantum theory for the HfNiSn and Hf_0.75Sc_0.25NiSn compounds confirmed the experimental conclusions regarding the generation in Hf_1-xSc_xNiSn of structural defects of acceptor nature only and the corresponding energy states. High values of the specific electrical conductivity and the thermopower coefficient correspond to the condition of maximum efficiency of thermal-to-electrical energy conversion, making Hf_1-xSc_xNiSn a promising thermoelectric material.

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Published

30.09.2026

How to Cite

Romaka, V., Stadnyk, Y., Romaka, L., Horyn, A., Romaka, V., & Zelinskiy, A. (2026). Features of the Electrical Conductivity Mechanisms of the New Semiconductor Thermoelectric Material Hf1-xScxNiSn. Journal of Thermoelectricity, (3), 5–18. https://doi.org/10.63527/1607-8829-2026-3-5-18