Local Magnetoelectric Effects as a Predictor of Surface Magnetic Order

TL;DR

This paper demonstrates that local magnetoelectric responses can predict surface magnetic order modifications from bulk magnetic symmetry, applicable even in non-magnetoelectric materials, aiding interpretation of surface magnetic measurements.

Contribution

It introduces a symmetry-based method using local magnetoelectric responses to predict surface magnetic modifications from bulk properties, even without bulk magnetoelectric effects.

Findings

Surface magnetic modifications can be predicted from bulk symmetry and local responses.

Demonstrated on CuMnAs and NiO, showing surface magnetic dipole changes.

Universal bulk-boundary correspondence for magnetic surface states.

Abstract

We use symmetry analysis and density functional theory to show that changes in magnetic order at a surface with respect to magnetic order in the bulk can be generically determined by considering local magnetoelectric responses of the crystal. Specifically, analysis of the atomic-site magnetoelectric responses, or equivalently the corresponding local magnetic multipoles, can be used to predict all surface magnetic modifications arising purely from symmetry lowering via termination of the bulk magnetic order. This analysis applies even in materials with no bulk magnetoelectric response or surface magnetization. We then demonstrate our arguments for two example antiferromagnets, metallic $\mathrm{CuMnAs}$ and rock-salt $\mathrm{NiO}$. We find that the $(010)$ and $(1\bar{1}0)$ surfaces of $\mathrm{CuMnAs}$ and $\mathrm{NiO}$ respectively exhibit a series of antiferroically, as well as roughness-sensitive, ferroically ordered, modifications of the surface magnetic dipole moments, via canting or changes in sublattice magnitude, consistent with the bulk ordering of the magnetic multipoles. Our findings demonstrate a universal bulk-boundary correspondance allowing the general prediction of minimal possible surface and interface magnetic modifications, even in non-magnetoelectric materials. Furthermore, it paves the way for more accurate interpretations of a wide variety of surface-sensitive measurements.