Theory of the Structure of Physically Adsorbed Layers

将对固体表面物理吸附层的结构、激发和热性质进行理论研究。调制单层晶格具有许多与金属和半导体表面重构中的结构相似的磁区壁结构。域壁激发与这些系统也有相似之处。结果被用于热性能的统计机械评估。这些现象依赖于衬底表面的高能地形，并提供了测量手段。被处理的衬底包括：铂、钯、铜和银的(111)面，以及氧化镁的(001)面。主要的吸附物是惰性气体系列，氦到氙气。选择显示更复杂系统中也存在的特征的组合；定量原子尺度模型是可用的，或者可以通过扩展先前的工作来构建。这项工作与X射线衍射、热中子散射、热氦散射、椭偏测量和微天平的实验有关。还将对分析公度单层的非弹性中子散射的方法进行理论研究。这项工作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. %%%