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<p>The study on electronic structure of cubic spinel oxide SnMg<sub>2</sub>O<sub>4</sub> using density functional theory, is reported to estmate band gaps for technological applications. In its spinel type of crystal structure (Fd-3&#xa0;m), SnMg<sub>2</sub>O<sub>4</sub> displays extraordinary properties for the device formation applications. The band profile of SnMg<sub>2</sub>O<sub>4</sub> illustrates a direct band gap of 2.204&#xa0;eV using GGA and 4.483&#xa0;eV using 6mBJ exchange potentials, respectively. Further, SnMg<sub>2</sub>O<sub>4</sub> has been analized for thermoelectric performances including figure of merit in temperature range of 50–1200&#xa0;K. At room temperature, the Seebeck coefficient of SnMg<sub>2</sub>O<sub>4</sub> is determined to be 234.38µV/K. Additionally, at room temperature, its figure of merit value is calculated to be 0.74. The present study elucidates the dynamic shifts in power factor and figure of merit relative to temperature. This study suggests the material’s use in thermoelectric devices as energy applications.</p>

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Thermoelectric Performance of SnMg2O4 Spinel Oxide for Energy Applications

  • 期刊论文

  • 发表日期：

    2025年8月28日

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  • R. K. Karthika,
  • Vipul Srivastava

摘要

The study on electronic structure of cubic spinel oxide SnMg2O4 using density functional theory, is reported to estmate band gaps for technological applications. In its spinel type of crystal structure (Fd-3 m), SnMg2O4 displays extraordinary properties for the device formation applications. The band profile of SnMg2O4 illustrates a direct band gap of 2.204 eV using GGA and 4.483 eV using 6mBJ exchange potentials, respectively. Further, SnMg2O4 has been analized for thermoelectric performances including figure of merit in temperature range of 50–1200 K. At room temperature, the Seebeck coefficient of SnMg2O4 is determined to be 234.38µV/K. Additionally, at room temperature, its figure of merit value is calculated to be 0.74. The present study elucidates the dynamic shifts in power factor and figure of merit relative to temperature. This study suggests the material’s use in thermoelectric devices as energy applications.