Simulations of Strongly Correlated Materials

强相关材料的模拟

• 批准号: 0312680
• 负责人: Mark Jarrell
• 金额: $ 49.6万
• 依托单位: University of Cincinnati Main Campus
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-07-01 至 2008-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0312680&HistoricalAwards=false
• 关键词: Simulations; Strongly; Correlated; Materials

The focus of this theoretical research is on strongly correlated systems, together with courseware development and the dissemination and documentation of research related codes. The research will involve the continued development of cluster mean field techniques and will focus on unconventional superconductors such as the cuprates and organic superconductors, the effect of disorder, spin-orbit coupling and correlations in the spintronic material GaMnAs, and the effect of non-local correlations on exhaustion and ferromagnetism in heavy Fermion materials. The related calculations will be carried out on massively parallel computers. Related scientific courseware will continue to be developed. Scientific and educational results will be readily accessible on the web.The research addresses areas of significant scientific and social impact. Superconductivity has important applications, such as medical diagnostic equipment and ultra-high-performance electronic communication filters. Many more uses are possible if the transition temperatures are high enough. Ferromagnetic semiconductors have great promise for the development of spintronic devices where both the electronic charge and spin are used in devices with new functionalities. The role of exhaustion and origin of ferromagnetism in heavy Fermion materials remain topics of great interest and even controversy. The cluster mean field formalism being developed has broad applications from correlated ordered systems to disordered materials.Apart from the publication of results in physics journals, the impact of this research is enhanced through the development of new computational algorithms with broad applications, and more directly through the distribution of examples of these codes on the PI's website and on public repositories of scientific software such as the MCC Software Archive. Distributed codes include Maximum Entropy codes for analytic continuation, and dynamical mean field and dynamical cluster Quantum Monte Carlo codes.Education is heavily integrated into this project, both through the support of graduate students, encouraging them to attend meetings, and more importantly through the development of NSF-sponsored courseware distributed on the website. Two complete courses are available, which are used to teach both upper-level undergraduate courses as well as introductory graduate courses in Solid State Physics and Electrodynamics. In addition to the usual materials, these courses emphasize modern computational techniques. Courseware that demonstrates the most basic use of computers in science is being developed for middle and high school. Inner-city public school teachers who participate in the "Physics by Inquiry" programs at Cincinnati will learn to use it during the summer, and bring it back to their students in the fall, assisted by NSF-supported graduate students.%%% The focus of this theoretical research is on strongly correlated systems, together with courseware development and the dissemination and documentation of research related codes. Education is heavily integrated into this project, both through the support of graduate students, encouraging them to attend meetings, and more importantly through the development of NSF-sponsored courseware distributed on the website. Courseware that demonstrates the most basic use of computers in science is being developed for middle and high school.***

本理论研究的重点是强相关系统，以及课件开发和研究相关代码的传播和文档。研究将涉及簇平均场技术的持续发展，并将重点关注非常规超导体，如铜酸盐和有机超导体，自旋电子材料GaMnAs中的无序，自旋轨道耦合和相关性的影响，以及非局部相关性对重费米子材料的耗尽和铁磁性的影响。相关计算将在大规模并行计算机上进行。将继续开发相关的科学课件。科学和教育成果将在网络上方便地访问。该研究涉及具有重大科学和社会影响的领域。超导具有重要的应用，如医疗诊断设备和超高性能电子通信滤波器。如果转换温度足够高，还可以有更多的用途。铁磁半导体对于自旋电子器件的发展具有很大的前景，其中电子电荷和自旋都被用于具有新功能的器件中。重费米子材料中铁磁性的耗尽和起源的作用仍然是人们非常感兴趣甚至有争议的话题。所提出的聚类平均场形式理论具有从相关有序系统到无序材料的广泛应用。除了在物理期刊上发表研究结果外，这项研究的影响还通过开发具有广泛应用的新计算算法而得到加强，更直接的是通过在PI网站和科学软件的公共存储库（如MCC software Archive）上分发这些代码的示例来增强。分布式码包括解析延拓的最大熵码、动态平均场和动态簇量子蒙特卡罗码。教育与这个项目紧密结合在一起，通过支持研究生，鼓励他们参加会议，更重要的是通过在网站上分发nsf赞助的课件的开发。有两套完整的课程，用于教授固体物理和电动力学的高级本科课程和研究生入门课程。除了通常的材料，这些课程强调现代计算技术。展示计算机在科学中最基本用途的课件正在为初中和高中开发。参加辛辛那提市“探究性物理”项目的市内公立学校教师将在夏季学习使用它，并在秋季将其带回给学生，由美国国家科学基金会资助的研究生协助。本理论研究的重点是强相关系统，以及课件的开发和研究相关代码的传播和文档化。教育与这个项目紧密结合在一起，通过支持研究生，鼓励他们参加会议，更重要的是通过在网站上分发nsf赞助的课件的开发。正在为初中和高中开发演示计算机在科学中最基本用途的课件