Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8
Abstract Using ab initio density functional theory with static mean-field correlations, we calculate the Heisenberg and Dzyaloshinskii-Moriya interactions (DMI) for an atomistic spin Hamiltonian for the lacunar spinel, GaV4S8. The parameters describing these interactions are used in atomistic spin d...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-03-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01232-7 |
| _version_ | 1797259129481330688 |
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| author | Vladislav Borisov Nastaran Salehi Manuel Pereiro Anna Delin Olle Eriksson |
| author_facet | Vladislav Borisov Nastaran Salehi Manuel Pereiro Anna Delin Olle Eriksson |
| author_sort | Vladislav Borisov |
| collection | DOAJ |
| description | Abstract Using ab initio density functional theory with static mean-field correlations, we calculate the Heisenberg and Dzyaloshinskii-Moriya interactions (DMI) for an atomistic spin Hamiltonian for the lacunar spinel, GaV4S8. The parameters describing these interactions are used in atomistic spin dynamics and micromagnetic simulations. The magnetic properties of the lacunar spinel GaV4S8, a material well-known from experiment to host magnetic skyrmions of Néel character, are simulated with these ab initio calculated parameters. The Dzyaloshinskii-Moriya contribution to the micromagnetic energy is a sum of two Lifshitz invariants, supporting the formation of Néel skyrmions and its symmetry agrees with what is usually expected for C 3ν -symmetric systems. There are several conclusions one may draw from this work. One concerns the quantum nature of the magnetism, where we show that the precise magnetic state of the V4 cluster is crucial for understanding quantitatively the magnetic phase diagram. In particular, we demonstrate that a distributed-moment state of each V4 cluster explains well a variety of properties of GaV4S8, such as the band gap, observed Curie temperature and especially the stability of Néel skyrmions in the experimentally relevant temperature and magnetic-field range. In addition, we find that electronic correlations change visibly the calculated value of the DMI. |
| first_indexed | 2024-04-24T23:04:31Z |
| format | Article |
| id | doaj.art-242ef2c9b77c4ab2aa8ffa90101531bf |
| institution | Directory Open Access Journal |
| issn | 2057-3960 |
| language | English |
| last_indexed | 2024-04-24T23:04:31Z |
| publishDate | 2024-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Computational Materials |
| spelling | doaj.art-242ef2c9b77c4ab2aa8ffa90101531bf2024-03-17T12:32:41ZengNature Portfolionpj Computational Materials2057-39602024-03-0110111010.1038/s41524-024-01232-7Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8Vladislav Borisov0Nastaran Salehi1Manuel Pereiro2Anna Delin3Olle Eriksson4Department of Physics and Astronomy, Uppsala UniversityDepartment of Physics and Astronomy, Uppsala UniversityDepartment of Physics and Astronomy, Uppsala UniversityDepartment of Applied Physics, School of Engineering Sciences, KTH Royal Institute of Technology, AlbaNova University CenterDepartment of Physics and Astronomy, Uppsala UniversityAbstract Using ab initio density functional theory with static mean-field correlations, we calculate the Heisenberg and Dzyaloshinskii-Moriya interactions (DMI) for an atomistic spin Hamiltonian for the lacunar spinel, GaV4S8. The parameters describing these interactions are used in atomistic spin dynamics and micromagnetic simulations. The magnetic properties of the lacunar spinel GaV4S8, a material well-known from experiment to host magnetic skyrmions of Néel character, are simulated with these ab initio calculated parameters. The Dzyaloshinskii-Moriya contribution to the micromagnetic energy is a sum of two Lifshitz invariants, supporting the formation of Néel skyrmions and its symmetry agrees with what is usually expected for C 3ν -symmetric systems. There are several conclusions one may draw from this work. One concerns the quantum nature of the magnetism, where we show that the precise magnetic state of the V4 cluster is crucial for understanding quantitatively the magnetic phase diagram. In particular, we demonstrate that a distributed-moment state of each V4 cluster explains well a variety of properties of GaV4S8, such as the band gap, observed Curie temperature and especially the stability of Néel skyrmions in the experimentally relevant temperature and magnetic-field range. In addition, we find that electronic correlations change visibly the calculated value of the DMI.https://doi.org/10.1038/s41524-024-01232-7 |
| spellingShingle | Vladislav Borisov Nastaran Salehi Manuel Pereiro Anna Delin Olle Eriksson Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8 npj Computational Materials |
| title | Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8 |
| title_full | Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8 |
| title_fullStr | Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8 |
| title_full_unstemmed | Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8 |
| title_short | Dzyaloshinskii-Moriya interactions, Néel skyrmions and V4 magnetic clusters in multiferroic lacunar spinel GaV4S8 |
| title_sort | dzyaloshinskii moriya interactions neel skyrmions and v4 magnetic clusters in multiferroic lacunar spinel gav4s8 |
| url | https://doi.org/10.1038/s41524-024-01232-7 |
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