Bi（111）衬底上锡烯薄膜的氢辅助逐层生长和稳定的非平凡拓扑
Hydrogen-assisted layer-by-layer growth and robust nontrivial topology of stanene films on Bi(111)
摘要：
自从首次通过外延生长成功合成锡烯以来，人们一直致力于提高其整体质量，并探索其在不同生长条件下的拓扑和其他奇异性质。在这里，我们使用第一性原理的方法，揭示了原子的生长机制和强大的拓扑结构的少层锡烯Bi（111）。我们首先表明，单层锡烯生长在Bi（111）遵循一个非常理想的成核和生长机制，其特征在于吸引的Sn吸附原子的相互作用。更重要的是，我们发现，表面钝化的残余氢是必不可少的，在实现逐层生长的高品质的少层锡烯，与氢作为表面活性剂在稳定生长的薄膜。此外，我们系统地研究了锡烯的拓扑性质对薄膜厚度、氢钝化和衬底的依赖关系，并在不同的物理条件下获得了稳健的量子自旋霍尔效应。非平凡拓扑的鲁棒性归因于Bi衬底的强自旋-轨道耦合。本文还结合最近的实验结果讨论了锡烯的原子生长机制和非平凡拓扑结构。
英文摘要：
Ever since the first successful synthesis of stanene via epitaxial growth, numerous efforts have been devoted to improving its overall quality and exploring its topological and other exotic properties under different growth conditions. Here, using first-principles approaches, we reveal the atomistic growth mechanisms and robust topological properties of few-layer stanene on Bi(111). We first show that monolayer stanene grown on Bi(111) follows a highly desirable nucleation-and-growth mechanism, characterized by attractive interaction of the Sn adatoms. More importantly, we reveal that surface passivation by the residual hydrogen is essential in achieving layer-by-layer growth of high-quality few-layer stanene, with the hydrogen functioning as a surfactant in stabilizing the growing films. Furthermore, we investigate systematically the dependence of the topological properties of stanene on the film thickness, hydrogen passivation, and substrate, and obtain robust quantum spin Hall effects under diverse physical conditions. The robustness of the nontrivial topology is attributable to the strong spin-orbit coupling of the Bi substrate. The atomistic growth mechanisms and nontrivial topology of stanene as presented here are also discussed in connection with recent experimental findings.
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