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<p>Utilizing the spin degree of freedom of electrons to control and store electronic data has become an emerging aspect of advanced spintronic technology. In my present work, I have comprehensively investigated the above room-temperature ferromagnetism and thermoelectric behavior of X<sub>2</sub>TiMoO<sub>6</sub> (X = Mg, Ca, Sr, Ba) for a detailed understanding of the field. The formation energy, phonon dispersion spectrum, and tolerance factor have been assessed to determine their thermodynamic, dynamic, and structural stabilities. The optimization analysis explains that ferromagnetic (FM) states liberate more energy than antiferromagnetic (AFM) states, thereby enhancing the stability of the FM states. The Curie temperature and spin polarization are calculated using the Heisenberg model and polarization density, which confirms above-room temperature ferromagnetism. Moreover, the Study investigates various aspects of ferromagnetism, including exchange constants, hybridization, crystal field energy, and exchange energies. The transformation of the magnetic moment from Ti and Mo to the Sr and O sites reveals that the electron spin is mainly responsible for ferromagnetism rather than the cluster of magnetic ions. Furthermore, a comprehensive analysis of transport behavior, including the Seebeck coefficient, electrical &amp; thermal conductivities, and power factor, is executed to see their thermoelectric effects on the spin of electrons and energy harvesting.</p>

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Study of Influence of Electron Spin on Half Metallic Ferromagnetism and Thermoelectric Behavior of X2TiMoO6 (X = Mg, Ca, Sr, Ba) for Spintronic Applications

  • 期刊论文

  • 发表日期：

    2025年8月17日

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  • Q. Mahmood

摘要

Utilizing the spin degree of freedom of electrons to control and store electronic data has become an emerging aspect of advanced spintronic technology. In my present work, I have comprehensively investigated the above room-temperature ferromagnetism and thermoelectric behavior of X2TiMoO6 (X = Mg, Ca, Sr, Ba) for a detailed understanding of the field. The formation energy, phonon dispersion spectrum, and tolerance factor have been assessed to determine their thermodynamic, dynamic, and structural stabilities. The optimization analysis explains that ferromagnetic (FM) states liberate more energy than antiferromagnetic (AFM) states, thereby enhancing the stability of the FM states. The Curie temperature and spin polarization are calculated using the Heisenberg model and polarization density, which confirms above-room temperature ferromagnetism. Moreover, the Study investigates various aspects of ferromagnetism, including exchange constants, hybridization, crystal field energy, and exchange energies. The transformation of the magnetic moment from Ti and Mo to the Sr and O sites reveals that the electron spin is mainly responsible for ferromagnetism rather than the cluster of magnetic ions. Furthermore, a comprehensive analysis of transport behavior, including the Seebeck coefficient, electrical & thermal conductivities, and power factor, is executed to see their thermoelectric effects on the spin of electrons and energy harvesting.