Joint Computational and Neutron/X-ray Scattering Studies of High-Temperature Superconductors

非技术概述理解和预测固体行为的能力是加速发现新材料并将其快速部署到新技术中的关键。这项结合了计算建模和中子散射表征的项目聚焦于一类被称为强关联电子系统的系统，由于其复杂的涌现行为和奇异的物理性质，这类系统提供了特别令人兴奋的应用前景。我们将使用计算和中子散射方法来研究这些材料的磁性。我们的目标是了解这些材料的某些家族的磁性和超导性质，这将使我们能够设计出具有所需和优化性质的未来材料。技术概述量子蒙特卡罗和随机相近似计算，结合共振非弹性x射线散射测量，将被用于研究铜酸盐和铁基高温超导体中的磁激发，这是强关联电子系统中最突出和最吸引人的两个成员。我们的主要目标是了解这些系统中磁性和超导电性之间的相互作用，重点是配对机制，这是凝聚态物理中最重要和最具挑战性的问题之一。这项研究计划的影响将是双重的：首先，我们将在中子散射实验和从高端模拟中获得的见解之间建立联系，将建立一种新的工作方式，极大地节省束流时间并提高计算周期的效率。其次，该项目将主要为研究生培养提供资金。他们将在两个专业人员的监督下，因此有机会学习相关材料研究的理论和实验方面。这种培训将极大地有利于他们未来的职业前景，提供一套使他们在未来就业市场上具有很强竞争力的技能。

Non-technical Summary The ability to understand and predict the behavior of solids is key to accelerating the discovery of new materials and their rapid deployment into new technologies. This combined computational modeling and neutron scattering characterization project focuses on a class of systems known as strongly correlated electron systems, which offer particularly exciting prospects for applications due to their complex emergent behavior and exotic physical properties. We will use computational and neutron scattering methods to study magnetic properties of these materials. Our goal is to understand the magnetic and superconducting properties of certain families of these materials, which will allow us to design future materials with desired and optimized properties.Technical Summary Quantum Monte Carlo and random phase approximation calculations, in conjunction with resonant inelastic x-ray scattering measurements will be used to study magnetic excitations in the cuprate and iron-based high-temperature superconductors, two of the most prominent and fascinating members of the class of strongly correlated electron systems. Our primary goal is to understand the interplay between magnetism and superconductivity in these systems, focusing on the pairing mechanism, which poses one of the most important and challenging problems in condensed matter physics. The impact of this research program will be two-fold: First, the link we will develop between neutron scattering experiments and insights gained from high-end simulations will establish a new modus operandi that will greatly conserve beam time and enhance the effectiveness of computing cycles. Second, this project will provide funding primarily for training of graduate students. They will be under the supervision of both PIs and therefore have the opportunity to learn both theoretical and experimental aspects of the study of correlated materials. This kind of training will benefit tremendously their future career prospects, providing a skill set that makes them highly competitive in the future job market.