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<p>In this study, we report the variation rules of saturation magnetization strength (<i>M</i><sub><i>S</i></sub>) and magnetic permeability (<i>μ</i>) of Fe and RPV films under H<sup>+</sup> ions irradiation conditions. The experimental results show that with the increase in irradiation dose, the saturation magnetization of Fe and RPV films decreases by 16.4 and 19.9%, respectively, and the magnetic permeability decreases by 45.5 and 66.3%, respectively. To avoid the influence of the demagnetizing field on <i>μ</i> in open-circuit measurements, a magnetic parameter <i>U</i>, strongly correlated with <i>μ</i>, is introduced. The relationships between the magnetic parameters <i>Ms</i> and<i> U</i> and the irradiation dose (<i>dpa</i>) are then discussed. The results show a good exponential relationship between the dpa and the magnetic parameters. It is usually assumed that <i>Ms</i> and <i>μ</i> are closely related to the mean atomic magnetic moment. First-principles calculations reveal that the introduction of SIA leads to a reduction in the average atomic magnetic moment of the crystal structure, with this effect being more pronounced when the SIA is Mn. Electronic structure analysis shows that 3<i>d</i> orbital electronic spin-state reconfiguration is a key factor in the change of the magnetic moments, and that the narrowing of the atomic spacing leads to orbital hybridization and affects the magnetic moment distribution via the Pauli exclusion principle and the Hund's rule. Further studies have shown that SIA promotes the polarization of solute atoms, which exacerbates the reduction of the magnetic moment. This study introduces a novel magnetic parameter, <i>U</i>, and establishes the variation law of magnetic properties under irradiation conditions. Combined with first-principles calculations, it reveals at the atomic level the mechanism behind irradiation-induced changes in the magnetic moment of bcc-Fe, providing new theoretical insights for a deeper understanding of the impact of irradiation on the magnetic properties of iron-based materials.</p>

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Magnetic evolution of Fe and RPV films under H+ ions irradiation: experimental and first-principles analysis

  • 期刊论文

  • 发表日期：

    2025年12月11日

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  • Chunhui Li,
  • Wenjiang Qiang,
  • Xuejiao Wang

摘要

In this study, we report the variation rules of saturation magnetization strength (MS) and magnetic permeability (μ) of Fe and RPV films under H+ ions irradiation conditions. The experimental results show that with the increase in irradiation dose, the saturation magnetization of Fe and RPV films decreases by 16.4 and 19.9%, respectively, and the magnetic permeability decreases by 45.5 and 66.3%, respectively. To avoid the influence of the demagnetizing field on μ in open-circuit measurements, a magnetic parameter U, strongly correlated with μ, is introduced. The relationships between the magnetic parameters Ms and U and the irradiation dose (dpa) are then discussed. The results show a good exponential relationship between the dpa and the magnetic parameters. It is usually assumed that Ms and μ are closely related to the mean atomic magnetic moment. First-principles calculations reveal that the introduction of SIA leads to a reduction in the average atomic magnetic moment of the crystal structure, with this effect being more pronounced when the SIA is Mn. Electronic structure analysis shows that 3d orbital electronic spin-state reconfiguration is a key factor in the change of the magnetic moments, and that the narrowing of the atomic spacing leads to orbital hybridization and affects the magnetic moment distribution via the Pauli exclusion principle and the Hund's rule. Further studies have shown that SIA promotes the polarization of solute atoms, which exacerbates the reduction of the magnetic moment. This study introduces a novel magnetic parameter, U, and establishes the variation law of magnetic properties under irradiation conditions. Combined with first-principles calculations, it reveals at the atomic level the mechanism behind irradiation-induced changes in the magnetic moment of bcc-Fe, providing new theoretical insights for a deeper understanding of the impact of irradiation on the magnetic properties of iron-based materials.