First-Principles Simulation of Quantum Materials: From the Normal to the Superconducting State

Seminar Research
On  April 18, 2025
Quantalps federation is pleased to announce the following Theory Seminar by Olivier Gingras (CEA Saclay et Flatiron Institute).
Abstract: Many-body correlations in quantum materials can generate various complex and intriguing phenomena such as Hund metallicity, magnetism and unconventional superconductivity. We use the union of density functional theory and dynamical mean-field theory (DFT, DMFT), a first-principles framework with very few adjustable parameters, to numerically investigate these phenomena in various materials. In particular, we will focus on strontium ruthenate, a material for which the normal state obtained using DFT et DMFT yields an impressive agreement with experiments. However, despite three decades of intensive research on this material, a consensus on the symmetry of its order parameter remains elusive. We will discuss different methods to interrogate a normal-state regarding potential low-temperature superconducting instabilities. For this specific material, the leading symmetry appears to be a generalized d-wave, while for the second leading instability, the calculations suggest odd-frequency pairing.
Published on  July 3, 2025
Updated on  July 3, 2025