Strongly Correlated Fermi Systems

该奖项支持理论和计算研究，通过结合量子多体理论方法（如动态平均场理论）来改进基于第一性原理的强相关材料的理论描述，并研究强相关材料的性质、有序态和相关现象。PI将开发多体概念，分析方法和计算技术来研究相关金属绝缘体和超导体的特性。PI将研究数百种金属的物理性质，如铁衍生物和硫族化合物。所有这些材料在高温下都是“坏金属”。在费米液体理论不能很好地描述物质的情况下，PI将发展一种输运理论。PI将研究相关绝缘体（如硅化铁和锑化铁）在平衡和非平衡状态下的不寻常热电特性。从长远来看，PI设想建立一个框架来预测和理解相关材料的物理性质，以动力平均场理论的成功为基础。这个框架将使具有强相关电子系统的材料的计算设计成为可能，从第一性原理开始。PI计划开发一个互动网站，作为各种材料的计算密集型结果的存档。该奖项支持理论和计算研究，以改进材料特定的理论描述，其中电子相互作用强烈，导致电子运动和不寻常材料特性和现象的强相关性。现代固态物理学解释了许多材料的物理性质，如传统的金属、半导体和绝缘体，它们为我们的现代技术社会提供了基础。但是从d和f电子壳层衍生出电子的材料往往不在这个理论的范围之内，并且具有显著的性质。例子包括：镍化铁材料表现出高温超导性，电子在没有电阻的情况下流动，硅化铁和锑化铁表现出特别大的热电性，当施加电场时，材料的不同区域会产生巨大的温差。PI将开发概念、技术和计算工具来描述这类材料，并阐明其非凡特性的起源。PI计划开发一个交互式网站，作为各种材料的计算密集型结果的存档。

TECHNICAL SUMMARY This award supports theoretical and computational research to improve the first-principles-based theoretical description of strongly correlated materials through the incorporation of quantum many-body theory methods like dynamical mean field theory and to investigate properties, ordered states, and associated phenomena of strongly correlated materials. The PI will develop many-body concepts analytical methods and computational techniques to investigate the properties of correlated metals insulators and superconductors. The PI will study the physical properties of Hunds metals such as the iron pnictides and chalcogenides. All these materials are "bad metals" at high temperatures. The PI will develop a theory of transport in a regime where materials are not well described by Fermi liquid theory. The PI will investigate the unusual thermoelectric properties of correlated insulators such as iron silicide and antimonide, in and out of equilibrium. In the long term, the PI envisions the construction of a framework for predicting and understanding the physical properties of correlated materials, building on the successes of the Dynamical Mean Field Theory. This framework would enable the computational design of materials with strongly correlated electron systems, starting from first principles. The PI plans to develop an interactive website which will serve as an archive of computationally intensive results for various materials. NONTECHNICAL SUMMARYThis award supports theoretical and computational research to improve materials-specific theoretical descriptions of materials in which electrons strongly interact with each other leading to strong correlations in electronic motion and unusual materials property and phenomena. Modern solid-state physics explains the physical properties of numerous materials, such as traditional metals, semiconductors, and insulators which provide the basis of our modern technological society. But materials with electrons derived from d- and f-electron shells tend to fall outside the scope of this theory and have remarkable properties. Examples include: iron pnictide materials which exhibit high temperature superconductivity where electrons flow in the absence of resistance, and iron silicide and iron antimonide which exhibit exceptionally large thermoelectricity where large temperature differences develop at different areas of the material when an electric field is applied. The PI will develop concepts, techniques, and computational tools to describe this class of materials and elucidate the origin of their remarkable properties The PI plans to develop an interactive website which will serve as an archive of computationally intensive results for various materials.