论文标题
decagonal sn Clathrate on $ d $ -al-ni-co
Decagonal Sn clathrate on $d$-Al-Ni-Co
论文作者
论文摘要
基于扫描隧道显微镜（STM），低能电子衍射和密度函数理论（DFT），显示了$ D $ -Ni-CO上Sn薄膜的decagonal-iciperiodic订购。有趣的是，甲状腺结构相关性部分保留在165 $ \ pm $ $ 10 K的大型膜厚度上。由于在杂质结构中的SN Dodecahedra列之间的晶格匹配（至1％以内）和五$ -NI-CO表面的五角形图案，因此界面能量有利于竞争性的SN晶体形式的杂物。 SN/AL-NI-CO复合材料模型的DFT研究表现出良好的机械稳定性，如SN与Al-Ni-CO板的分离的工作所示，与围rate自隔离能相当。 r $ _2 $ t $ _4 $ clathrate近似值的松弛表面终止与从单层到最厚的SN膜中观察到的主题相似。
Decagonal quasiperiodic ordering of Sn thin film on $d$-Al-Ni-Co, is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction and density functional theory (DFT). Interestingly, the decagonal structural correlations are partially retained up to a large film thickness of 10 nm grown at a 165$\pm$10 K. The nucleation centers called 'Sn white flowers' identified by STM at submonolayer thickness are recognized as valid patches of the decagonal clathrate structure with low adsorption energies. Due to the excellent lattice matching (to within 1%) between columns of Sn dodecahedra in the clathrate structure and pentagonal motifs at the $d$-Al-Ni-Co surface, the interfacial energy favors clathrate over the competing Sn crystalline forms. DFT study of the Sn/Al-Ni-Co composite model shows good mechanical stability, as shown by the work of separation of Sn from Al-Ni-Co slab that is comparable to clathrate self-separation energy. The relaxed surface terminations of the R$_2$T$_4$ clathrate approximant are in self-similarity correspondence with the motifs observed in the STM images from monolayer to thickest Sn film.
