CAREER: First-Principles Discovery of Optically Excited States in Van der Waals Magnetic Structures

非技术性总结该奖项支持旨在理解一类称为货车德瓦尔斯（vdW）磁体的磁性材料的量子行为的研究和教育活动。当这些磁体被减薄到一层或非常少的材料片时，它们显示出各种类型的磁有序。由于其对光照的独特反应，这些材料是目前材料研究的前沿之一。PI和他的团队将开发新的计算方法，并将其应用于直接从基本量子定律理解VDW磁体中的光-物质相互作用，而不依赖于经验参数。这种方法使全面了解vdW磁体的各个方面的光学激发，如磁性控制的光学性能。这种对材料响应的基本理解和预测对于推进光电子学、能量收集和量子信息科学等技术至关重要。该项目还包括重要的教育内容。它将为物理学，材料科学和量子技术的学生和专业人员提供培训。通过“STEM伙伴”和“未来材料科学劳动力的数据科学”等举措，该项目将教育K-12学生，并加强这些领域的本科生和研究生课程。这些教育工作特别关注参与代表性不足的群体，促进科学和技术的多样性，并为下一代创新者做好准备。技术总结该奖项支持理论和计算研究和教育，重点是推进对货车德瓦尔斯（vdW）磁体中光物质相互作用的理解。该项目旨在对vdW磁性结构的光激发态中的多体效应进行基本了解，旨在控制光学响应并设计固体中的光量子激发耦合。本研究包括三个主要方面：1.磁工程的激子结构和电磁感应透明的vdW磁体。2.探索莫尔超晶格中独特的光学激发，并开发针对这些材料的新计算方法。3.研究激子-磁振子耦合，提供量子资讯科学的潜在应用。该项目还包括一个重要的教育部分。它将为物理学、材料科学和量子技术的本科生和研究生提供培训。通过“STEM伙伴”和“未来材料科学劳动力的数据科学”等举措，该项目将教育K-12学生，并加强这些领域的本科生和研究生课程。这些教育工作特别注重参与代表性不足的群体，促进科学和技术的多样性，并准备下一代创新者。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

NONTECHNICAL SUMMARYThis award supports research and educational activitives aimed at understanding the quantum behavior of a class of magnetic materials known as van der Waals (vdW) magnets. These magnets display various types of magnetic ordering when they are thinned to one layer or very few sheets of material. Because of their unique responses to illumination by light, these materials are currently one of the frontiers of materials research. The PI and his team will develop new computational methods and apply them to understand light-matter interactions in vdW magnets directly from fundamental quantum laws, without relying on empirical parameters. This approach enables comprehensive understanding of various aspects of vdW magnets upon optical excitations, such as magnetic control of optical properties. Such fundamental understanding and prediction of material response are crucial for advancing technologies like optoelectronics, energy harvesting, and quantum information science.The project also includes significant educational components. It will provide training for students and professionals in physics, materials science, and quantum technology. Through initiatives like “STEM-pals” and “Data Science for Future Materials Science Workforce,” the project will educate K-12 students and enhance undergraduate and graduate curricula in these fields. These educational efforts are particularly focused on engaging underrepresented groups, promoting diversity in science and technology, and preparing the next generation of innovators.TECHNICAL SUMMARYThis award supports theoretical and computational research and education that focus on advancing the understanding of light-matter interactions in van der Waals (vdW) magnets. The project seeks to achieve a fundamental understanding of many-body effects in optically excited states of vdW magnetic structures, aiming to control optical responses and design light-quantum excitation couplings in solids. The research encompasses three main thrusts: 1. Magnetic engineering of excitonic structures and electromagnetically induced transparency in vdW magnets. 2. Exploration of unique optical excitations in moiré superlattices and the development of novel computational methods tailored for these materials. 3. Investigation into exciton-magnon coupling, offering potential applications in quantum information science.The project also includes a significant educational component. It will provide training for undergraduate and graduate students in physics, materials science, and quantum technology. Through initiatives like “STEM-pals” and “Data Science for Future Materials Science Workforce,” the project will educate K-12 students and enhance undergraduate and graduate curricula in these fields. These educational efforts are particularly focused on engaging underrepresented groups, promoting diversity in science and technology, and preparing the next generation of innovators.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.