Local Magnetoelectric Effects as Predictors of Surface Magnetic Order
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 local atomic-site magnetoel...
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| Format: | Article |
| Language: | English |
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American Physical Society
2025-06-01
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| Series: | Physical Review X |
| Online Access: | http://doi.org/10.1103/7brd-lynv |
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| _version_ | 1850218939071594496 |
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| author | Sophie F. Weber Andrea Urru Nicola A. Spaldin |
| author_facet | Sophie F. Weber Andrea Urru Nicola A. Spaldin |
| author_sort | Sophie F. Weber |
| collection | DOAJ |
| description | 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 local atomic-site magnetoelectric responses, or, equivalently, the corresponding atomic-site 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 net surface magnetization. We then demonstrate our arguments for two example antiferromagnets, topological semimetal CuMnAs and rocksalt NiO. We find that the (010) and (11[over ¯]0) surfaces of CuMnAs and 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 correspondence allowing the general prediction of minimal possible surface and interface magnetic modifications, even in materials with no net magnetoelectric response. Furthermore, it paves the way for more accurate interpretations of a wide variety of surface-sensitive measurements. |
| format | Article |
| id | doaj-art-19bd4222900445d1bfaeb0c4ac539f5d |
| institution | OA Journals |
| issn | 2160-3308 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | American Physical Society |
| record_format | Article |
| series | Physical Review X |
| spelling | doaj-art-19bd4222900445d1bfaeb0c4ac539f5d2025-08-20T02:07:34ZengAmerican Physical SocietyPhysical Review X2160-33082025-06-0115202109410.1103/7brd-lynvLocal Magnetoelectric Effects as Predictors of Surface Magnetic OrderSophie F. WeberAndrea UrruNicola A. SpaldinWe 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 local atomic-site magnetoelectric responses, or, equivalently, the corresponding atomic-site 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 net surface magnetization. We then demonstrate our arguments for two example antiferromagnets, topological semimetal CuMnAs and rocksalt NiO. We find that the (010) and (11[over ¯]0) surfaces of CuMnAs and 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 correspondence allowing the general prediction of minimal possible surface and interface magnetic modifications, even in materials with no net magnetoelectric response. Furthermore, it paves the way for more accurate interpretations of a wide variety of surface-sensitive measurements.http://doi.org/10.1103/7brd-lynv |
| spellingShingle | Sophie F. Weber Andrea Urru Nicola A. Spaldin Local Magnetoelectric Effects as Predictors of Surface Magnetic Order Physical Review X |
| title | Local Magnetoelectric Effects as Predictors of Surface Magnetic Order |
| title_full | Local Magnetoelectric Effects as Predictors of Surface Magnetic Order |
| title_fullStr | Local Magnetoelectric Effects as Predictors of Surface Magnetic Order |
| title_full_unstemmed | Local Magnetoelectric Effects as Predictors of Surface Magnetic Order |
| title_short | Local Magnetoelectric Effects as Predictors of Surface Magnetic Order |
| title_sort | local magnetoelectric effects as predictors of surface magnetic order |
| url | http://doi.org/10.1103/7brd-lynv |
| work_keys_str_mv | AT sophiefweber localmagnetoelectriceffectsaspredictorsofsurfacemagneticorder AT andreaurru localmagnetoelectriceffectsaspredictorsofsurfacemagneticorder AT nicolaaspaldin localmagnetoelectriceffectsaspredictorsofsurfacemagneticorder |