<p>The thermoelectric power factor (PF) of the Ga<sub>2</sub>NiRu Full Heusler compound is investigated as a function of energy and temperature, revealing a peak value of ~ 1 × 10<sup>12</sup>&#xa0;W/m&#xa0;K<sup>2</sup> near the Fermi level (E<sub>F</sub>). This high PF stems from the interplay between moderate Seebeck coefficients and exceptional electrical conductivity, driven by Ni-3d and Ru-4d states. Symmetric around (E<sub>F</sub>), the PF demonstrates robustness across a wide energy range (± 0.5&#xa0;eV), with optimal performance observed between 300 and 600&#xa0;K. While the compound’s metallic character enhances σ, the high electronic thermal conductivity poses a challenge for achieving higher thermoelectric efficiency. These findings highlight Ga<sub>2</sub>NiRu’s potential for mid-temperature applications, contingent on strategies to suppress thermal conductivity without compromising electronic transport.</p>

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First principles characterizations of structural, electronic, and magnetic properties of ga2niru heusler compound

  • Mahmadnaeem N. Bloch,
  • Mitesh B. Solanki,
  • Trilok Akhani,
  • Nisha Mahepal,
  • Amol Mithani

摘要

The thermoelectric power factor (PF) of the Ga2NiRu Full Heusler compound is investigated as a function of energy and temperature, revealing a peak value of ~ 1 × 1012 W/m K2 near the Fermi level (EF). This high PF stems from the interplay between moderate Seebeck coefficients and exceptional electrical conductivity, driven by Ni-3d and Ru-4d states. Symmetric around (EF), the PF demonstrates robustness across a wide energy range (± 0.5 eV), with optimal performance observed between 300 and 600 K. While the compound’s metallic character enhances σ, the high electronic thermal conductivity poses a challenge for achieving higher thermoelectric efficiency. These findings highlight Ga2NiRu’s potential for mid-temperature applications, contingent on strategies to suppress thermal conductivity without compromising electronic transport.