Sn、Pb离子注入石英晶体结构缺陷形成过程中的弹道效应和化学效应的相互作用
Interplay of ballistic and chemical effects in the formation of structural defects for Sn and Pb implanted silica
摘要：
用软X射线吸收谱和发射谱研究了Sn和Pb离子注入SiO2的电子结构。我们表明，使用参考化合物和从头计算，Pb-O和Sn-O相互作用的存在下，可以检测到在前边缘区域的氧K-边XAS。通过对这种相互作用敏感的前边缘区的分析，我们发现Pb注入主要导致Pb原子的聚集。相反，在使用相同条件的Sn注入的情况下，存在强的Sn-O相互作用，表明Sn与氧配位。两种离子类型之间的不同结果解释使用弹道的考虑和密度泛函理论计算。我们发现，在SiO2中的Si网站取代Pb需要更多的能量比取代Sn在这些相同的网站，主要是由于较大的尺寸的Pb离子。从这些计算的形成能，很明显，Pb需要远高于Sn的温度才能溶解在SiO2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。
英文摘要：
The electronic structures of Sn and Pb implanted SiO2 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 Pb-O and Sn-O 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 Sn-O 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 SiO2 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 SiO2. These results help explain the complex processes which take place upon implantation and determine the final products.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
