Transition from Pauli paramagnetism to Curie-Weiss behavior in vanadium
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Transition from Pauli paramagnetism to Curie-Weiss behavior in vanadium
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| Автор |
Belozerov, A. S.
Katanin, A. A. Anisimov, V. I. |
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| Тематика |
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL THEORY FERMI LIQUIDS MAGNETIC MOMENTS MEAN FIELD THEORY TEMPERATURE DISTRIBUTION VANADIUM BCC STRUCTURE CURIE WEISS LAW CURIE-WEISS BEHAVIORS DENSITY FUNCTIONALS DYNAMICAL MEAN-FIELD THEORY HIGHEST TEMPERATURE LOCAL SPIN LOWS-TEMPERATURES PAULI PARAMAGNETISM TEMPERATURE DEPENDENCE MAGNETIC SUSCEPTIBILITY |
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| Описание |
We study electron correlations and their impact on magnetic properties of bcc vanadium by a combination of density functional and dynamical mean-field theory. The calculated uniform magnetic susceptibility in bcc structure is of Pauli type at low temperatures, while it obeys the Curie-Weiss law at higher temperatures. Thus, we qualitatively reproduce the experimental temperature dependence of magnetic susceptibility without introducing the martensitic phase transition. Our results for local spin-spin correlation function and local susceptibility reveal that the Curie-Weiss behavior appears due to partial formation of local magnetic moments, which originate from t2g states and occur due to local spin correlations caused by Hund's rule coupling. At the same time, the fermionic quasiparticles remain well defined, while the formation of local moments is accompanied by a deviation from the Fermi-liquid behavior. In particular, the self-energy of the t2g states shows the nonanalytic frequency dependence, which is a characteristic of the spin-freezing behavior, while the quasiparticle damping changes approximately linearly with temperature in the intermediate temperature range 200-700 K. By analyzing the momentum dependence of static magnetic susceptibility, we find incommensurate magnetic correlations, which may provide a mechanism for unconventional superconductivity at low temperatures. © 2023 American Physical Society.
Ministry of Education and Science of the Russian Federation, Minobrnauka: AAAA-A18-118020190098-5; Russian Science Foundation, RSF: 19-12-00012 The DFT+DMFT calculations were supported by the Russian Science Foundation (Project No. 19-12-00012). The calculations of the particle-hole bubble were supported by the Ministry of Science and Higher Education of the Russian Federation (theme “Electron” No. AAAA-A18-118020190098-5). |
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| Дата |
2024-04-05T16:27:33Z
2024-04-05T16:27:33Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Belozerov, AS, Katanin, AA & Anisimov, VI 2023, 'Transition from Pauli paramagnetism to Curie-Weiss behavior in vanadium', Physical Review B, Том. 107, № 3, 035116. https://doi.org/10.1103/PhysRevB.107.035116
Belozerov, A. S., Katanin, A. A., & Anisimov, V. I. (2023). Transition from Pauli paramagnetism to Curie-Weiss behavior in vanadium. Physical Review B, 107(3), [035116]. https://doi.org/10.1103/PhysRevB.107.035116 2469-9950 Final All Open Access, Green https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146325951&doi=10.1103%2fPhysRevB.107.035116&partnerID=40&md5=8a40bdf08cc3df8e4af96d3f5cfc3d82 https://arxiv.org/pdf/2206.12383 http://elar.urfu.ru/handle/10995/130626 10.1103/PhysRevB.107.035116 85146325951 000918392800003 |
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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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