Weyl-Transition-Driven Giant Reversible Orbital Hall Conductivity

Abstract: Orbital Hall conductivity (OHC) is a central ingredient of orbitronics, yet how to control it microscopically remains largely unexplored. Here we identify a general mechanism in which tilted Weyl crossings formed by orbitally distinct bands generate a strongly asymmetric orbital Berry curvature (OBC) distribution, whose imbalance survives Brillouin-zone integration and yields a sizable OHC already at zeroth order. Using first-principles calculations, we show that monolayer PtBi2 realizes this mechanism and hosts a giant OHC dominated by a type-II Weyl point. A small biaxial tensile strain drives a type-II $\rightarrow$ type-I $\rightarrow$ type-II Weyl transition, leading to a reversible sign change of the OHC through the evolution of the OBC imbalance. This process is governed by the chiral orbital texture of the crossing bands and is further assisted by a strain-induced first-order structural phase transition through bonding reconstruction and polarization change. Our results establish Weyl engineering of orbital quantum geometry as a powerful route to generating and reversibly controlling OHC in polar multi-orbital materials.