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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Interplay of ballistic and chemical effects in the formation of structural defects for Sn and Pb implanted silica
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Interplay of ballistic and chemical effects in the formation of structural defects for Sn and Pb implanted silica

机译：锡和铅注入的二氧化硅结构缺陷形成中弹道和化学效应的相互作用

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The electronic structures of Sn and Pb implanted SiO _2 are studied using soft X-ray absorption (XAS) and emission (XES) spectroscopy. We show, using reference compounds and ab initio calculations, that the presence of PbO and SnO interactions can be detected in the pre-edge region of the oxygen K-edge XAS. Via analysis of this interaction-sensitive pre-edge region, we find that Pb implantation results primarily in the clustering of Pb atoms. Conversely, with Sn implantation using identical conditions, strong SnO interactions are present, showing that Sn is coordinated with oxygen. The varying results between the two ion types are explained using both ballistic considerations and density functional theory calculations. We find that the substitution of Pb into Si sites in SiO _2 requires much more energy than substituting Sn in these same sites, primarily due to the larger size of the Pb ions. From these calculated formation energies it is evident that Pb requires far higher temperatures than Sn to be soluble in SiO _2. These results help explain the complex processes which take place upon implantation and determine the final products.
机译：利用软X射线吸收（XAS）和发射（XES）光谱研究了Sn和Pb注入的SiO _2的电子结构。我们显示，使用参考化合物和从头算计算，可以在氧K边缘XAS的前边缘区域检测到PbO和SnO相互作用的存在。通过对该相互作用敏感的前缘区域的分析，我们发现Pb注入主要导致Pb原子的聚集。相反，在相同条件下进行Sn注入时，存在强SnO相互作用，表明Sn与氧配位。使用弹道考虑因素和密度泛函理论计算来解释两种离子类型之间的变化结果。我们发现，将Pb替换为SiO _2中的Si位点所需的能量比在这些相同的位点中替换Sn所需的能量要大得多，这主要是由于Pb离子的尺寸较大。从这些计算出的形成能中可以明显看出，Pb需要比Sn高得多的温度才能溶于SiO _2中。这些结果有助于解释植入后发生的复杂过程并确定最终产品。

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