Herrmann Andreas, Zekri Mohamed, Maalej Ramzi, Rüssel Christian
Department of Inorganic-Nonmetallic Materials, Institute of Materials Science and Engineering, Ilmenau University of Technology, Gustav-Kirchhoff-Str. 5, 98693 Ilmenau, Germany.
LaMaCoP, Faculty of Sciences of Sfax, Sfax University, Sfax 3018, Tunisia.
Materials (Basel). 2023 Jan 6;16(2):564. doi: 10.3390/ma16020564.
Peralkaline Sm-doped aluminosilicate glasses with different network modifier ions (Mg, Ca, Sr, Ba, Zn) were investigated to clarify the effect of glass composition and glass structure on the optical properties of the doped Sm ions. For this purpose, the Sm luminescence emission spectra were correlated with the molecular structure of the glasses derived by molecular dynamics (MD) simulations. The different network modifier ions have a clear and systematic effect on the peak area ratio of the Sm emission peaks which correlates with the average rare earth site symmetry in the glasses. The highest site symmetry is found for the calcium aluminosilicate glass. Glasses with network modifier ions of lower and higher ionic radii show a notably lower average site symmetry. The symmetry could be correlated to the rare earth coordination number with oxygen atoms derived by MD simulations. A coordination number of 6 seems to offer the highest average site symmetry. Higher rare earth coordination probabilities with non-bridging oxygen result in an increased splitting of the emission peaks and a notable broadening of the peaks. The zinc containing glass seems to play a special role. The Zn ions notably modify the glass structure and especially the rare earth coordination in comparison to the other network modifier ions in the other investigated glasses. The knowledge on how glass structure affects the optical properties of doped rare earth ions can be used to tailor the rare earth absorption and emission spectra for specific applications.
研究了含有不同网络改性离子（Mg、Ca、Sr、Ba、Zn）的过碱性掺钐铝硅酸盐玻璃，以阐明玻璃组成和玻璃结构对掺杂钐离子光学性质的影响。为此，将钐发光发射光谱与通过分子动力学（MD）模拟得到的玻璃分子结构相关联。不同的网络改性离子对钐发射峰的峰面积比有明显且系统的影响，该峰面积比与玻璃中平均稀土位点对称性相关。在钙铝硅酸盐玻璃中发现了最高的位点对称性。具有较低和较高离子半径的网络改性离子的玻璃显示出明显较低的平均位点对称性。这种对称性可以与通过MD模拟得出的稀土与氧原子的配位数相关联。配位数为6似乎提供了最高的平均位点对称性。与非桥氧的较高稀土配位概率导致发射峰的分裂增加和峰的明显展宽。含锌玻璃似乎起着特殊作用。与其他研究玻璃中的其他网络改性离子相比，锌离子显著改变了玻璃结构，特别是稀土配位情况。关于玻璃结构如何影响掺杂稀土离子光学性质的知识可用于为特定应用定制稀土吸收和发射光谱。
