Electronic structure of exemplary correlated materials

示例性相关材料的电子结构

• 批准号: 175378525
• 负责人: Professor Dr. Maurits Haverkort
• 金额: --
• 依托单位: Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS)
• 依托单位国家: 德国
• 项目类别: Research Units
• 财政年份: 2010
• 资助国家: 德国
• 起止时间: 2009-12-31 至 2016-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/175378525?language=en
• 关键词: Electronic; structure; exemplary; correlated; materials

The aim of this project is to better understand the physics of correlated systems by comparing experimental and theoretical results. We will carry out material-specific studies of a number of model compounds for strongly correlated systems, using both experimental and theoretical approaches. These results could serve as a test ground for the novel theoretical methods developed within our own project and other projects of the total research unit. Both successes and failures of particular versions of DMFT will lead to a better modelling of correlated systems. The specific goals of this project are: (1) Identification of the material-specific key parameters, (2) experimental verification of the DMFT results, and (3) the improvement of exact diagonalization cluster solvers as to include the full atomic multiplet theory and spin-orbit coupling.

这个项目的目的是通过比较实验和理论结果来更好地理解相关系统的物理学。我们将使用实验和理论两种方法，对强相关系统的一些模型化合物进行特定材料的研究。这些结果可以作为在我们自己的项目和整个研究单位的其他项目中开发的新理论方法的试验场。特定版本DMFT的成功和失败都将导致对相关系统的更好建模。该项目的具体目标是：(1)确定特定材料的关键参数；(2)对DMFT结果进行实验验证；(3)改进精确对角化簇解算器，使其包括全原子多元理论和自旋轨道耦合。