Hall Coefficient Sign Reversal Driven by Orbital-Selective Oxygen-Vacancy Scattering in Nickelate Films

Abstract

Hall measurements in superconducting bilayer nickelate films show sign reversals that cannot be explained by rigid-band electron doping alone. We combine a DFT+CDMFT-derived correlated multi-orbital quasiparticle model with a $T$-matrix treatment of oxygen-vacancy scattering in a semiclassical Boltzmann transport framework. We find that multiband compensation is insufficient by itself: in-plane vacancies selectively suppress the transport channel dominated by the $d_{x^2-y^2}$ orbital and drive $R_H$ through zero, whereas inner-apical vacancies make $R_H$ more negative. These results identify pocket-resolved and orbital-selective oxygen-vacancy scattering as the microscopic origin of the Hall coefficient sign reversal and provide a framework for oxygen-stoichiometry-dependent transport in nickelate films.