Influence of the triangular Mn-O breathing mode on magnetic ordering in multiferroic hexagonal manganites
| Autor: | Tosic, Tara Niamh, Meier, Quintin N., Spaldin, Nicola A. |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Physical Review Research, 4 (3) |
| ISSN: | 2643-1564 |
| DOI: | 10.3929/ethz-b-000573854 |
| Popis: | We use a combination of symmetry analysis, phenomenological modeling, and first-principles density functional theory to explore the interplay between the magnetic ground state and the detailed atomic structure in the hexagonal rare-earth manganites. We find that the magnetic ordering is sensitive to a breathing mode distortion of the Mn and O ions in the ab plane, which is described by the K1 mode of the high-symmetry structure. Our density functional calculations of the magnetic interactions indicate that this mode particularly affects the single-ion anisotropy and the interplanar symmetric exchanges. By extracting the parameters of a magnetic model Hamiltonian from our first-principles results, we develop a phase diagram to describe the magnetic structure as a function of the anisotropy and exchange interactions. This in turn allows us to explain the dependence of the magnetic ground state on the identity of the rare-earth ion and on the K1 mode. Physical Review Research, 4 (3) ISSN:2643-1564 |
| Databáze: | OpenAIRE |
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