First-Principles Investigation of Dynamical Electronic Response and Many-Body Effects in Metals

这项资助是用来支持计算金属集体性质的工作，即电子-电子相互作用对电子实际能带结构能量的影响。目前对这些特性的理解是基于相当简单的模型，如Jellium或Hubbard模型。随着各种最先进的电子能谱技术正在探索金属响应的全部复杂性，这样的研究不仅是可行的，而且是势在必行的。项目内容包括：(1)计算电子和x射线的非弹性散射截面；(2)电荷和自旋涨落对费米表面附近准粒子态的影响；(3)原子薄膜的磁响应；(4)三维铁磁体中磁性能的温度依赖性。这项工作需要与实验同事密切合作。这项资助支持使用现实模型研究金属复杂和微妙特性的理论工作，而早期的工作是在专门开发的简化模型上完成的。这项工作包括可以与实验相比较的具体数量的计算。特别是，这个项目将大大提高我们对磁性和薄膜磁性的温度依赖性的理解。＊＊＊

9634502 Eguiluz This grant is to support work on calculation of collective properties of metals, namely the influence of electron- electron interaction using realistic band structure energies for electrons. The current understanding of these properties is based on rather simple models such as Jellium or Hubbard model. As the full complexity of the metal response is being explored in various state-of-the-art electron spectroscopies, such a study is not only feasible, it becomes imperative as well. The project includes: (1) calculation of inelastic scattering cross sections for electrons and x-rays, (2) influence of charge and spin fluctuations on the quasi particle states near the Fermi surface, (3) magnetic response of atomically thin films and (4) temperature dependence of the magnetic properties in a 3d ferromagnet. The work involves close collaboration with experimental colleagues. %%% This grant supports theoretical work on complex and subtle properties of metals using realistic models where the earlier work has been done on specially developed simplified models. The work involves calculation of specific quantities which can be compared to experiments. In particular, this project will considerably enhance our understanding of temperature dependence of magnetism and the magnetic properties of thin films. ***