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

  • 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 dx2-y2 orbital and drive RH through zero, whereas inner-apical vacancies make RH 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.
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