2 papers
cond-mat.mtrl-sci2025
Equivalence of charged and neutral density functional formulations for correcting the many-body self-interaction of polarons
Stefano Falletta, Jennifer Coulter, Joel B. Varley +4
The electron self-interaction problem in density functional theory affects the accurate modeling of polarons, particularly their localization and formation energy. Charged and neut…
cond-mat.supr-con2024
Alternate cleavage structure and electronic inhomogeneity in Ca-doped YBaCuO
Larissa B. Little, Jennifer Coulter, Ruizhe Kang +10
YBaCuO (YBCO) has favorable macroscopic superconducting properties of up to 93 K and up to 150 T. However, its nanoscale electronic structur…