CAREER: ELECTRONS, PHONONS AND THE PROPERTIES OF STRONGLY CORRELATED MATERIALS

职业：电子、声子和强相关材料的性质

• 批准号: 0608283
• 负责人: Sergey Savrasov
• 金额: $ 21.42万
• 依托单位: University of California-Davis
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-12-01 至 2008-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0608283&HistoricalAwards=false
• 关键词: CAREER; ELECTRONS; PHONONS; PROPERTIES; STRONGLY

This CAREER award supports theoretical and computational research on strongly correlated electron materials with an aim to incorporate recent advances in quantum many-body theory into electronic structure methods. Research will have a focus on the interaction of electronic and lattice degrees of freedom. The PI's approach aims to merge density-functional linear-response theory with dynamical mean field theory. As advances are made toward more realistic modeling of strongly correlated electron materials, new theoretical methods, algorithms, and computer codes will be developed. These tools have the potential to help guide the search for new materials. Specific applications include: the study of the effect of electronic correlation on lattice dynamics in Mott insulating oxides and Multiferroics, the study of the electron-phonon contribution to the pairing interaction in materials where superconductivity and magnetism coexist, the study of the spin-Peirels transition. Computer programs will be designed to enable materials exploration by non-experts, by materials scientists and engineers, and by theoretical solid-state physicists. These will be accessible via the Internet. The project will promote teaching, training and learning via intensive integration of undergraduate and graduate students of New Jersey Institute of Technology into the research process. It will involve students in materials design, development of analytical methods and software, computations of solid state properties and comparisons with experiments, and the creation of WEB-based materials research databases. The project will expose Newark area high-school students to today's world of materials engineering with emphasis on the participation of underrepresented groups. This will be accomplished by motivating the students to learn fundamental mathematics and physics via the use of user-friendly software packages developed for PC platforms and training the students to use programs such as simulations and visualizations of properties of solids using this software.%%%This CAREER award supports theoretical and computational research and education aimed at enhancing our capabilities to predict the properties of materials involving strongly correlated electrons. These display intellectually intriguing phenomena with potential for technological application. These phenomena include high-temperature superconductivity, colossal magnetoresistance, giant optical non-linearities and large thermoelectric coefficients. The research will have a particular focus on the interaction of strongly correlated electrons with the crystalline lattice. The PI will work to merge recently developed theoretical methods with density-functional-theory based techniques to create more realistic models of strongly correlated materials. This work involves developing new algorithms, and computer programs that may amplify the level of comparison of sophisticated theories with experiment and may help guide searches for and assist in the design of new materials with desired properties. Computer programs will be designed with an aim to allow materials exploration by non-experts, by materials scientists and engineers and by theoretical solid-state physicists. These will be available through the Internet. The project will promote teaching, training and learning via intensive integration of undergraduate and graduate students of New Jersey Institute of Technology into the research process. It will provide educational experience via involvement of students into material design, development of analytical methods and software, computations of solid state properties and comparisons with experiments, and creation of WEB-based materials research databases. The project will expose Newark area high-school students to today's world of materials engineering with emphasis on the participation of underrepresented groups. This will be accomplished by motivating the students to learn fundamental mathematics and physics via the use of user-friendly software packages developed for PC platforms and training the students to use programs such as simulations and visualizations of properties of solids using this software.***

该职业奖支持对强相关的电子材料的理论和计算研究，目的是将量子多体理论的最新进展纳入电子结构方法中。研究将重点放在电子和晶格自由度的相互作用上。 PI的方法旨在将密度功能性线性响应理论与动态平均场理论合并。随着进步的发展，将开发出强相关的电子材料的更现实的建模，新的理论方法，算法和计算机代码将被开发。这些工具有可能帮助指导搜索新材料。具体应用包括：对莫特绝缘氧化物和多表情中电子相关性对晶格动力学的影响的研究，对超导性和磁性共发生的材料中对配对相互作用的电子 - 音波贡献的研究，对旋转 - 螺旋体转变的研究。计算机程序将旨在通过非专家，材料科学家和工程师以及理论上的固态物理学家进行材料探索。这些将可以通过互联网访问。该项目将通过将新泽西理工学院的本科生和研究生的密集整合到研究过程中来促进教学，培训和学习。它将让学生参与材料设计，分析方法和软件的开发，固态特性的计算以及与实验的比较以及基于Web的材料研究数据库的创建。该项目将使纽瓦克地区的高中生接触到当今的材料工程世界，重点是代表性不足的群体的参与。这将通过激励学生通过使用用于PC平台开发的用户友好的软件包来学习基本数学和物理，并培训学生使用该软件的模拟和可视化固体属性等程序。%% %%此职业奖此职业奖旨在支持我们的能力来增强我们的能力来预测材料的能力，从而可以提高材料的能力，从而涉及材料的能力。这些表现出具有技术应用潜力的知识上有趣的现象。这些现象包括高温超导性，巨大的磁性，巨大的光学非线性和大型热电系数。 这项研究将特别关注强相关电子与晶格的相互作用。 PI将合并最近开发的理论方法与基于密度功能理论的技术，以创建更逼真的材料模型。这项工作涉及开发新算法和计算机程序，这些程序可能会扩大复杂理论与实验的比较水平，并可能有助于指导搜索并帮助设计具有所需属性的新材料。计算机程序的设计目的是允许非专家，材料科学家和工程师以及理论固态物理学家进行材料探索。这些将通过互联网提供。该项目将通过将新泽西理工学院的本科生和研究生的密集整合到研究过程中来促进教学，培训和学习。它将通过学生参与材料设计，分析方法和软件的开发，固态属性的计算以及与实验的比较以及创建基于Web的材料研究数据库来提供教育经验。该项目将使纽瓦克地区的高中生接触到当今的材料工程世界，重点是代表性不足的群体的参与。这将通过使用用于PC平台开发的用户友好的软件包来激励学生学习基本数学和物理学，并培训学生使用该软件的模拟和固体属性的可视化程序。*** *** ***