【摘要】 文章作者在Si(111)(7×7)衬底上合成出位于同一主族的Pb的全同纳米团簇有序阵列.有趣的是,当衬底温度相对于最佳的生长温度范围发生微小的偏离时,Pb纳米团簇很容易转变为其他结构的团簇.结合实验结果和第一性原理总能量计算,文章作者揭示了几种Pb团簇的原子结构.这些结构都是以表面Pb和Si原子互换导致的混合模型为中心的衍生结构.Pb/Si(111)体系的这种边缘性质为研究表面幻数团簇的合成、分解等动力学过程提供了重要信息.更多还原

【Abstract】 Well-ordered arrays of identical Pb clusters have been fabricated on a Si(111)-(7×7) substrate by the temperature-mediated surface clustering method. Interestingly, these clusters can easily transform into other forms when the growth temperature deviates slightly from the optimal values. In accord with experiments, first-principle total-energy calculations reveal several cluster structures centered on a mixed cluster model involving surface Pb and Si exchange. This borderline Pb/Si(111) system provides a unique, controlled way to study surface magic cluster formation and breakup dynamics.更多还原