论文标题
单层stanene对Al $ _ {2} $ o $ _ {3} $（0001）表面的外延结合和应变效应
Epitaxial binding and strain effects of monolayer stanene on the Al$_{2}$O$_{3}$(0001) surface
论文作者
论文摘要
Stanene是TIN的二维单层形式，由于其较大的旋转 - 轨道相互作用，已被预测为2D拓扑制剂。然而，对Stanene在拓扑上的非平地特性的明确实验证明已经避免了观察结果，部分原因是很难选择stanene在拓扑上保持不平凡的底物。在本文中，我们介绍了在铝的（0001）表面上生长的外延单层stanene的第一原理密度功能理论（DFT）计算，Al $ _ {2} $ o $ $ $ $ _ {3} $，以及在应变下的自由装饰的stanene。通过描述单层Stanene如何与氧化铝结合的能量和性质，我们表现出强大的能量驱动器，使单层具有一致的紧张并与底物相处。通过分析施用Stanene的电子结构，我们发现它是Al $ _ {2} $ o $ $ _ {3} $的量子旋转厅绝缘子。我们还描述了\ emph {原位}氟装饰对结合stanene单层的影响，包括其机械剥落的潜力。
Stanene, the two-dimensional monolayer form of tin, has been predicted to be a 2D topological insulator due to its large spin--orbit interaction. However, a clear experimental demonstration of stanene's topologically nontrivial properties has eluded observation, in part because of the difficulty of choosing a substrate on which stanene will remain topologically nontrivial. In this paper, we present first-principles density functional theory (DFT) calculations of epitaxial monolayer stanene grown on the (0001) surface of alumina, Al$_{2}$O$_{3}$, as well as free-standing decorated stanene under strain. By describing the energetics and nature of how monolayer stanene binds to alumina, we show a strong energetic drive for the monolayer to be coherently strained and epitaxial to the substrate. By analyzing the electronic structure of strained stanene, we find it to be a quantum spin Hall insulator on Al$_{2}$O$_{3}$. We also describe the effect of \emph{in situ} fluorine decoration on the bound stanene monolayer, including on its potential for mechanical exfoliation.
