Research Area
The cuprates remain the benchmark for high-temperature superconductivity, yet the mechanism behind their pairing is still contested. One productive strategy is to look for chemical analogues that reproduce the essential ingredients — a quasi-two-dimensional lattice, strong antiferromagnetic exchange, and a single active orbital near the Fermi level — in a different material family. Our work examines silver fluorides such as AgF₂ in this light, using random phase approximation and fluctuation exchange treatments to assess their potential as unconventional superconductors.
Publications in this area
Physical Review B, 105, 134519 (2022)
Liu X., Pandey S.K., Feng J.
Physical Chemistry Chemical Physics, 2022
Jezierski D., Grzelak A., Liu X., Pandey S.K., Gastiasoro M.N., Lorenzana J., Feng J., Grochala W.
Other research areas
Exploring spin-orbit assisted Mott insulators and 3d/4d/5d transition metal compounds as QSL candidates using ab initio and renormalization group methods.
Developing efficient deep learning-based tight-binding approaches with ab initio accuracy for billion-atom-scale electronic simulations at finite temperatures.
Using dynamical mean-field theory (DMFT) to study how dynamic electronic correlation enhances orbital magnetization in layered materials.
Studying displacive topological phase transitions and hidden-order phases in Weyl semimetals via first-principles and effective theory.
Combining deep learning tight-binding Hamiltonians with non-equilibrium Green’s functions to simulate quantum transport in 2D materials at scale.