Fournée V, Gaudry É, Ledieu J, de Weerd M-C, Diehl R D
Institut Jean Lamour (UMR7198 CNRS-Nancy-Université de Lorraine), Parc de Saurupt, 54011 Nancy Cedex, France.
J Phys Condens Matter. 2016 Sep 7;28(35):355001. doi: 10.1088/0953-8984/28/35/355001. Epub 2016 Jul 1.
The growth of C60 films on the pseudo-ten-fold (1 0 0) surface of the orthorhombic Al13Co4 quasicrystalline approximant was studied experimentally by scanning tunneling microscopy, low-energy electron diffraction and photoemission spectroscopy. The (1 0 0) surface terminates at bulk-planes presenting local atomic configurations with five-fold symmetry-similar to quasicrystalline surfaces. While the films deposited at room temperature were found disordered, high-temperature growth (up to 693 K) led to quasi-ordered molecular films templated on the substrate rectangular unit mesh. The most probable adsorption sites and geometries were investigated by density functional theory (DFT) calculations. A large range of adsorption energies was determined, influenced by both symmetry and size matching at the molecule-substrate interface. The quasi-ordered structure of the film can be explained by C60 adsorption at the strongest adsorption sites which are too far apart compared to the distance minimizing the intermolecular interactions, resulting in some disorder in the film structure at a local scale. Valence band photoemission indicates a broadening of the molecular orbitals resulting from hybridization between the substrate and overlayer electronic states. Dosing the film at temperature above 693 K led to molecular damage and formation of carbide thin films possessing no azimuthal order with respect to the substrate.
通过扫描隧道显微镜、低能电子衍射和光电子能谱对正交相Al13Co4准晶近似物的伪十重(1 0 0)表面上C60薄膜的生长进行了实验研究。(1 0 0)表面终止于呈现具有五重对称性的局部原子构型的体平面——类似于准晶表面。虽然发现在室温下沉积的薄膜是无序的,但高温生长(高达693 K)导致在衬底矩形单位网格上形成准有序分子薄膜。通过密度泛函理论(DFT)计算研究了最可能的吸附位点和几何结构。确定了大范围的吸附能,其受分子-衬底界面处的对称性和尺寸匹配的影响。薄膜的准有序结构可以通过C60在最强吸附位点的吸附来解释,这些位点彼此相距太远,与使分子间相互作用最小化的距离相比,导致薄膜结构在局部尺度上存在一些无序。价带光电子能谱表明,由于衬底和覆盖层电子态之间的杂化,分子轨道变宽。在高于693 K的温度下对薄膜进行剂量处理会导致分子损伤,并形成相对于衬底没有方位序的碳化物薄膜。