Theory of the Structure of Physically Adsorbed Layers

理论研究将在结构，激励， 固体表面物理吸附层的热性质 表面。 调制单层晶格具有畴壁结构 与地表的结构有许多相似之处 金属和半导体的重建。 畴壁 激励也与这些系统类似。 结果用于 用于热性能的统计机械评估。 这些 现象取决于，并提供措施， 衬底表面的形貌。 处理的基材 包括：铂、钯、铜的（111）面， 银和氧化镁的（001）面。 主 吸附物是惰性气体系列，从氦到氙。 组合 哪些显示特征也以更复杂的方式呈现 系统;定量原子尺度模型可用或可以 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、椭圆偏振法和微量天平。 非弹性中子分析方法的理论研究 还将进行从相称单层的散射。 在这项工作中的技术包括晶格动力学分析， 连续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. %%%