Local structure analysis of γ-radiation-induced defects and Fe3+ impurities in soda-lime-silica: X-band EPR simulation

IF 3.2 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of Non-crystalline Solids Pub Date : 2024-10-30 DOI:10.1016/j.jnoncrysol.2024.123276

Gaurav Gupta , El Mehdi Ghardi , Michael J.D. Rushton , Paul A. Bingham

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Abstract

This study measured and simulated continuous wave X-band electron paramagnetic resonance (cw-EPR) spectra of γ-irradiated (nuclear decay of ⁶⁰Co) at 300 K soda-lime-silicate (SLS) glass to analyze the effects on Fe³⁺ ions from Fe₂O₃ impurities. Three radiation-induced hole-center paramagnetic defects were identified, though simulating the broad electron-center signals was challenging. A prominent Fe³⁺ resonance line (g∼ 4.28) was simulated using a rhombic spin Hamiltonian, and γ-irradiation caused a shift in the Fe³⁺ g_isovalue. While the axial zero-field-splitting (ZFS) parameter (D) remained stable, the rhombic ZFS parameter (E) decreased with increasing radiation, increasing rhombicity (λ= |E/D|). This suggests that radiation-induced defects distort the Fe³⁺ sites' electronic environment in the glass network. In summary, the study reveals the local structural evolution of radiation-induced defects in SLS glass and the local structure of Fe³⁺ impurities under γ-irradiation.

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钠钙硅石中 γ 辐射诱导缺陷和 Fe3+ 杂质的局部结构分析：X 波段 EPR 模拟

本研究测量并模拟了 300 K 时γ-辐照（60 钴的核衰变）钠-低硅酸盐（SLS）玻璃的连续波 X 波段电子顺磁共振（cw-EPR）光谱，以分析 Fe2O3 杂质对 Fe3+ 离子的影响。尽管模拟宽泛的电子中心信号具有挑战性，但还是确定了三种辐射诱导的空穴中心顺磁缺陷。使用菱形自旋哈密顿模拟了一条突出的 Fe3+ 共振线（g∼ 4.28），γ 辐照导致了 Fe3+ 基色的移动。轴向零场分裂（ZFS）参数（D）保持稳定，而菱形 ZFS 参数（E）则随着辐射的增加而减小，从而增加了菱形度（λ= |E/D|）。这表明辐射引起的缺陷扭曲了玻璃网络中 Fe3+ 位点的电子环境。总之，该研究揭示了γ辐照下 SLS 玻璃中辐射诱导缺陷的局部结构演变以及 Fe3+ 杂质的局部结构。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Non-crystalline Solids 工程技术-材料科学：硅酸盐

CiteScore

6.50

自引率

11.40%

发文量

576

审稿时长

35 days

期刊介绍： The Journal of Non-Crystalline Solids publishes review articles, research papers, and Letters to the Editor on amorphous and glassy materials, including inorganic, organic, polymeric, hybrid and metallic systems. Papers on partially glassy materials, such as glass-ceramics and glass-matrix composites, and papers involving the liquid state are also included in so far as the properties of the liquid are relevant for the formation of the solid. In all cases the papers must demonstrate both novelty and importance to the field, by way of significant advances in understanding or application of non-crystalline solids; in the case of Letters, a compelling case must also be made for expedited handling.