Exchange-controlled surface linear magnetoelectricity in rutile-type altermagnetic transition metal difluorides
Phys. Rev. B 113, 184431 – Published 7 May, 2026
DOI: https://doi.org/10.1103/vh79-rf6t
Abstract
Surface magnetoelectric (ME) coupling is conventionally attributed to strong spin-orbit coupling (SOC) or interface-induced polarization and is therefore considered strongly limited in centrosymmetric antiferromagnets. Here we show, theoretically, that rutile-type transition-metal fluorides (, Mn, Fe, Co, Ni) can exhibit a linear ME response at the (110) surface even in the absence of SOC, enabled by the interplay between bulk magnetic octupolar order and surface symmetry breaking. Our first-principles calculations reveal that ferroically ordered bulk magnetic octupoles in provide the symmetry prerequisite for a linear surface ME effect. The magnitude of this surface ME coupling is primarily governed by the magnetic exchange energy scale and the extent of interfacial electronic reconstruction. Specifically, in and , relatively weak exchange splitting generates pronounced -orbital surface states near the Fermi level, yielding large displacement-induced surface magnetoelectric coefficients . In contrast, the strong exchange splitting in and maintains an insulating surface character and substantially suppresses . , featuring nearly degenerate spin configurations (i.e., an electronic configuration with eight electrons occupying the Ni orbitals), further displays nonlinear magnetic reconstruction under small perturbations. These findings establish a general mechanism of “exchange-controlled surface magnetoelectricity” in rutile compounds, clarify that bulk octupoles act as a symmetry prerequisite rather than the primary determinant of the response amplitude, and render this family a promising platform for designing tunable, multipole-driven surface ME functionalities.