Theory of the Structure of Physically Adsorbed Layers

对固体表面物理吸附层的结构、激励和热性能进行理论研究。调制单层晶格的畴壁结构与金属和半导体表面重构中的结构有许多相似之处。畴壁激发也与这些系统有相似之处。结果用于热性能的统计力学评价。这些现象取决于基材表面的能量地形，并提供测量方法。所处理的衬底包括：铂、钯、铜和银的（111）面和氧化镁的（001）面。主要的吸附剂是惰性气体系列，从氦到氙。选择的组合可以显示在更复杂的系统中也存在的特征；定量原子尺度模型是可用的，或者可以通过扩展以前的工作来构建。这项工作与x射线衍射、热中子散射、热氦散射、椭偏和微天平实验有关。本文还将对分析相应单层非弹性中子散射的方法进行理论研究。本文所使用的技术包括晶格动力学分析、连续介质弹性理论和变分量子力学。% % %

Theoretical research will be done on the structures, excitations and thermal properties of physically adsorbed layers on solid surfaces. Modulated monolayer lattices have domain wall structures with many similarities to structures which occur in the surface reconstructions of metals and semiconductors. The domain wall excitations also have analogies to these systems. Results are used for statistical mechanical evaluation of thermal properties. These phenomena depend on, and provide measures of, the energetic topography of the substrate surface. The substrates treated include: the (111) faces of platinum, palladium, copper, and silver, and the (001) face of magnesium oxide. The primary adsorbates are the inert gas series, helium to xenon. Combinations are chosen which display features present also in more complex systems; quantitative atomic scale models are available or can be constructed by extension of previous work. The work has ties to experiments with x-ray diffraction, thermal neutron scattering, thermal helium scattering, ellipsometry, and microbalances. Theoretical study of the methods for analysing inelastic neutron scattering from commensurate monolayers will also be undertaken. The techniques in this work include lattice dynamical analysis, continuum elasticity theory and variational quantum mechanics. %%%