Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry
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| Автор |
Korotin, D. M.
Novoselov, D. Y. Anisimov, V. I. |
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| Тематика |
EXCHANGE INTERACTIONS
FLUORINE COMPOUNDS HEAVY IONS MAGNETIC ANISOTROPY METAL IONS SPIN DYNAMICS AB INITIO CALCULATIONS CU IONS ELECTRON-DOPING MAGNETIC EXCHANGE INTERACTIONS MAGNETIC INTERACTIONS NON-STOICHIOMETRY ONE-DIMENSIONAL SPIN STATE SUB-LATTICES TWO-DIMENSIONAL COPPER COMPOUNDS |
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| Описание |
The copper fluoride Cu2F5 is a compound with two-dimensional (2D) magnetic exchange interactions between the Cu ions in the S=1 and S=12 spin states. Using ab initio calculations, we predict that the existence of 5% vacancies in the fluoride sublattice of Cu2F5 results in a drastic transformation of the spin state of all copper ions and the final spin states are S=12 and S=0. Consequently, the anisotropy of the magnetic interactions increases, and 1D linear chains of Cu d9, S=12 ions appear. We also propose a microscopic mechanism of such a transformation of the exchange interaction via CuO6 octahedra elongation. © 2023 American Physical Society.
Russian Science Foundation, RSF: 19-12-00012 Calculation of the ground state crystal structure for the doped was carried out within the state assignment of Ministry of Science and Higher Education of the Russian Federation (theme Electron No. 122021000039-4). Results on the spin-lattice evolution with doping were obtained with the support of the Russian Science Foundation (Project No. 19-12-00012). |
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| Дата |
2024-04-05T16:18:30Z
2024-04-05T16:18:30Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Korotin, DM, Novoselov, DY & Anisimov, VI 2023, 'Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry', Physical Review B, Том. 107, № 9, 094430. https://doi.org/10.1103/PhysRevB.107.094430
Korotin, D. M., Novoselov, D. Y., & Anisimov, V. I. (2023). Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry. Physical Review B, 107(9), [094430]. https://doi.org/10.1103/PhysRevB.107.094430 2469-9950 Final All Open Access, Green https://www.scopus.com/inward/record.uri?eid=2-s2.0-85151286343&doi=10.1103%2fPhysRevB.107.094430&partnerID=40&md5=0733f1ca41de5835ac375fee3e2232f1 https://arxiv.org/pdf/2301.00396 http://elar.urfu.ru/handle/10995/130320 10.1103/PhysRevB.107.094430 85151286343 000972740300002 |
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| Язык |
en
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| Связанные ресурсы |
info:eu-repo/grantAgreement/RSF//19-12-00012
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| Права |
Open access (info:eu-repo/semantics/openAccess)
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| Формат |
application/pdf
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| Издатель |
American Physical Society
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| Источник |
Physical Review B
Physical Review B |
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