About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
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Alloys and Compounds for Thermoelectric and Solar Cell Applications XII
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Presentation Title |
Thermoelectric Properties of TaSb2 and NbSb2 Using Experimental and Computational Tools |
Author(s) |
Shamim Shaikh, Naoki Sato, Takao Mori |
On-Site Speaker (Planned) |
Shamim Shaikh |
Abstract Scope |
In the thermoelectric community, semimetals have attracted increasing attention due to their potential to achieve high power factor especially below room temperature. Here, we study the thermoelectric properties of the topological semimetals TaSb2 and NbSb2 in the temperature range of 300–730 K. The compounds were synthesized by solid-state reaction followed by spark plasma sintering process. The observed values of Seebeck coefficients exhibit non-monotonic behavior in the studied temperature window. The resistivities show the increasing behaviour, while thermal conductivities are found to have a decreasing trend in the temperature region studied. The experimentally observed thermoelectric properties are understood through first-principles density functional theory calculations. A pseudogap in density of states around the Fermi level characterizes the semi-metallic behavior of the compounds. The multi-band electron and hole pockets are found to be mainly responsible for the temperature dependence of transport properties. Phonon calculations confirm the mechanical stabilities of the compounds. |
Proceedings Inclusion? |
Planned: |
Keywords |
Energy Conversion and Storage, Computational Materials Science & Engineering, Other |