Surface-bulk hybridization enhances the Berry curvature dipole in GaAs(110)

Symmetry breaking at crystalline boundaries can enable electronic responses that are forbidden in the bulk. Here, we investigate the Berry curvature dipole (BCD) at GaAs(110) surfaces using first-principles calculations. While the BCD vanishes in bulk GaAs due to symmetry constraints, the reduced surface symmetry permits a finite dipole. We show that surface relaxation promotes hybridization between bulk and surface states, which strongly influences the surface BCD. Specifically, in unrelaxed slabs, the BCD arises predominantly from interband coupling among exponentially localized surface states lying within the projected bulk band gap. Surface relaxation shifts these states into the energy range of the bulk continuum, transforming them into surface resonances and promoting hybridization with bulk-like states. This hybridization generates pronounced Berry-curvature hot spots, resulting in an overall enhancement of the BCD. Our results highlight the importance of surface relaxation for accurately describing surface--bulk hybridization, which in turn plays a key role in Berry-curvature-driven responses at crystalline boundaries.