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

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.