CAREER:Beyond Ideal Quantum Materials: Understanding the Critical Role of Disorder and Electron-Electron Interactions

职业：超越理想量子材料：了解无序和电子-电子相互作用的关键作用

基本信息

批准号：
1944974
负责人：
Hanna Terletska
金额：
$ 49.99万
依托单位：
Middle Tennessee State University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2020
资助国家：
美国
起止时间：
2020-05-01 至 2025-04-30
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1944974&HistoricalAwards=false
关键词：
CAREER Beyond Ideal Quantum Materials

项目摘要

NONTECHNICAL SUMMARYFunctional quantum materials, such as high temperature superconductors, colossal magnetoresistance materials, and dilute magnetic semiconductors, are at the forefront of condensed matter physics research. These materials are being actively explored for transformative technological applications, including efficient energy generation, storage, and transmission. Understanding the fundamental mechanisms behind the exotic phases of matter emerging in these quantum materials is a grand challenge, which must be overcome to maximize technological advancement. Due to the complexity of the many-electron problem, analytic theories often become unreliable, and numerical treatment is required. This CAREER award supports computational and theoretical research and education aimed at better understanding and description of electron localization and phase transitions in quantum materials, properties of which are governed by strong electron-electron interactions and disorder. So far, most of the theoretical and computational research on such quantum materials has been performed on idealized systems, often based on overly simplified toy models, which do not take into account the intrinsic complexity of real materials. Understanding exotic phases of matter in newly discovered quantum materials requires going beyond such simplifications. This research will extend the existing numerical tools to confront material complexity and enable in-depth study of electron localization and phase transitions in quantum systems. An important component of this project is education and outreach for a diverse body of K-12 and college students. The goal of this effort is to develop a diverse and competitive quantum smart workforce by integrating research and education. This goal will be met through: 1) training graduate and undergraduate students in research and high-performance computing; 2) developing an innovative undergraduate material physics course with an emphasis on recent advances in condensed matter physics and computation; 3) conducting computational workshop for graduate students; 4) providing mentoring and outreach activities for women and other groups underrepresented in physics, and targeted outreach to engage young women at the middle- and high-school levels.TECHNICAL SUMMARYThis CAREER award supports research and education that focuses on theoretical and computational study of functional quantum materials with strong electron-electron interactions and disorder. Much of our present knowledge of correlated electron quantum materials is built on studies performed for idealized and simplified toy models that do not take into account the intrinsic complexity of real systems. The overarching goal of the proposed research is to enhance understanding of quantum materials by conducting studies of quantum materials beyond ideal models, via the inclusion of disorder, multi-orbital structure, and long-range Coulomb interactions. The research team will develop new theoretical approaches and many-body numerical tools that will extend the capabilities of the existing Monte Carlo and quantum cluster embedding methods. Specifically, the research will focus on several fundamental open questions of electron localization and metal-insulator transition in two-dimensional electron systems that have emerged in the context of recent experimental discoveries. Examples include: 1) determining the fate of Mott metal-insulator transition in two-dimensional electron systems by systematically studying the effect of non-local correlations and long-range electron-electron interactions; 2) investigating the interplay between disorder, electron-electron interactions, and quantum criticality near the Mott metal-insulator transition in single band and multi-orbital systems; 3) exploiting disorder to localize electrons in intermediate band semiconductors and topological insulators using ab-initio based effective Hamiltonian methods.The goal of the educational and outreach components is to develop a diverse and competitive quantum smart workforce by integrating research and education. This goal will be met through several components: 1) designing an innovative quantum material undergraduate material science course with the emphasis on recent advances in condensed matter physics and computation; 2) conducting computational workshops for graduate students on the modern quantum many-body numerical techniques for strongly interacting and disordered systems; 3) training undergraduate and graduate students in quantum material research and high-performance computing. A strong emphasis of the proposed outreach is targeted towards mentoring and encouragement of participation of women and other group underrepresented in scientific disciplines by the PI’s established Women in Physics Group. The PI will organize various outreach physics demonstration workshops for middle and high school students as well as networking and professional development mentoring events.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

非技术摘要功能量子材料，例如高温超导体，巨大的磁磁性材料和稀释磁性半导体，是冷凝物质物理学研究的最前沿。这些材料正在积极探索用于变革性技术应用，包括有效的能源产生，存储和传输。了解这些量子材料中出现的物质外来阶段背后的基本机制是一个巨大的挑战，必须克服这一挑战，以最大程度地提高技术进步。由于多电子问题的复杂性，分析理论通常变得不可靠，需要数值治疗。该职业奖支持计算和理论研究和教育，旨在更好地理解和描述量子材料中的电子定位和相变，其属性受强大的电子电子相互作用和混乱的影响。到目前为止，关于此类量子材料的大多数理论和计算研究都已在理想化的系统上进行，通常基于过度简化的玩具模型，这些模型没有考虑到真实材料的内在复杂性。了解新发现的量子材料中物质的异国阶段需要超越这些简化。这项研究将扩展现有的数值工具，以面对材料的复杂性，并能够深入研究量子系统中的电子定位和相变。该项目的一个重要组成部分是针对K-12和大学生多样性体系的教育和宣传。这项工作的目的是通过整合研究和教育来发展多样性和竞争性量子智能劳动力。该目标将通过以下方式实现：1）研究和高性能计算的培训毕业生和本科生； 2）开发创新的本科材料物理课程，重点是凝结物理和计算的最新进展； 3）为研究生举办计算研讨会； 4）为妇女和其他群体提供心理和推广活动，在物理学方面人数不足，并针对宣传，使年轻妇女在中学和高中级别吸引年轻女性。技术总结职业奖支持研究和教育，该奖项的研究和教育重点介绍了功能量子材料的理论和计算研究，这些研究和计算研究与强大的电子电子相互作用和障碍。我们目前对相关电子量子材料材料的许多知识都是基于为理想化和简化的玩具模型所做的研究而构建的，这些模型未考虑实际系统的内在复杂性。拟议的研究的总体目标是通过包括疾病，多轨结构和远距离库仑相互作用来通过对理想模型以外的量子材料进行研究来增强对量子材料的理解。研究团队将开发新的理论方法和多体数值工具，以扩展现有的蒙特卡洛和量子群集嵌入方法的功能。具体而言，该研究将集中于在二维电子系统中的电子定位和金属 - 绝缘体过渡的几个基本开放问题，这些问题已在最近的实验发现中出现。示例包括：1）通过系统地研究非本地相关性和远程电子电子相互作用的效果，确定二维电子系统中Mott Metal-Metal-undrator转变的命运； 2）调查单个带和多轨系统中莫特金属绝缘体过渡附近的疾病，电子 - 电子相互作用和量子关键性之间的相互作用； 3）利用基于AB-Initio的有效汉密尔顿方法将电子定位在中间频段半导体和拓扑绝缘体中。该目标将通过几个组成部分实现：1）设计创新的量子本科材料科学课程，重点是凝结物理物理和计算的最新进展； 2）在现代量子多体数值技术上为研究生进行计算研讨会，以互相相互作用和无序系统； 3）培训量子材料研究和高性能计算的本科生和研究生。对拟议的外展的强烈强调旨在进行心理和鼓励妇女的参与，而其他PI既定妇女在物理小组中的科学学科中人数不足。 PI将为中学和高中生组织各种外展物理演示研讨会，以及网络和专业发展指导活动。该奖项反映了NSF的法定任务，并通过使用基金会的知识分子优点和更广泛的影响审查标准来通过评估来表现出珍贵的支持。

项目成果

期刊论文数量（7）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Non-local corrections to the typical medium theory of Anderson localization

安德森局域化典型介质理论的非局域修正

DOI：
10.1016/j.aop.2021.168454
发表时间：
2021
期刊：
Annals of Physics
影响因子：
3
作者：
Terletska, H.;Moilanen, A.;Tam, K.-M.;Zhang, Y.;Wang, Y.;Eisenbach, M.;Vidhyadhiraja, N.S.;Chioncel, L.;Moreno, J.
通讯作者：
Moreno, J.

Dynamical mean-field theory of the Anderson-Hubbard model with local and nonlocal disorder in tensor formulation

张量表述中具有局部和非局部无序的 Anderson-Hubbard 模型的动态平均场理论

DOI：
10.1103/physrevb.104.045127
发表时间：
2021-05
期刊：
Physical Review B
影响因子：
3.7
作者：
Weh A.;Zhang Y.;Oestlin A.;Terletska H.;Bauernfeind D.;Tam K-M;Evertz H. G.;Byczuk K.;Vollhardt D.;Chioncel L.
通讯作者：
Chioncel L.

Dynamical cluster approximation study of electron localization in the extended Hubbard model