Reciprocal space study of Heisenberg exchange interactions in ferromagnetic metals
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Reciprocal space study of Heisenberg exchange interactions in ferromagnetic metals
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| Автор |
Kashin, I. V.
Gerasimov, A. Mazurenko, V. V. |
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| Тематика |
ELECTRONIC STRUCTURE
MAGNETIC COUPLINGS MAGNETISM SPIN DYNAMICS BODY CENTERED CUBIC IRON CONVENTIONAL METHODS ELECTRONIC.STRUCTURE GREENS FUNCTION HEISENBERG EXCHANGE INTERACTION MAGNETIC ENVIRONMENTS MAGNETISM IN SOLIDS RECIPROCAL SPACE SPIN-ROTATIONS TIGHT BINDING EXCHANGE INTERACTIONS |
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| Описание |
The modern quantum theory of magnetism in solids is getting commonly derived using Green's function formalism. The popularity draws itself from remarkable opportunities to capture the microscopic landscape of exchange interactions, starting from a tight-binding representation of the electronic structure. Indeed, the conventional method of infinitesimal spin rotations, considered in terms of local force theorem, opens vast prospects of investigations regarding the magnetic environment, as well as pairwise atomic couplings. However, this theoretical concept practically is not devoid of intrinsic inconsistencies. In particular, naturally expected correspondence between single and pairwise infinitesimal spin rotations is being numerically revealed to diverge. In this work, we elaborate on this question on the model example and canonical case of body-centered-cubic (bcc) iron bulk crystal. Our analytical derivations discovered the principal preference of onsite magnetic precursors if the compositions of individual atomic interactions are in focus. The problem of extremely slow or even absent spatial convergence while considering metallic compounds was solved by developed technique, based on reciprocal space framework. Using fundamental Fourier-transform-inspired interconnection between this technique and traditional spatial representation, we shed light on symmetry breaking in bcc Fe on the level of orbitally decomposed total exchange surrounding. © 2022 American Physical Society.
Russian Science Foundation, RSF, (21-72-10136) Council on grants of the President of the Russian Federation, (MK-2578.2021.1.2) The authors acknowledge A. Szilva, Y. Kvashnin, I. Miranda, and O. Eriksson for fruitful and inspiring discussions. The work of I.V.K. and A.G. is supported by the grant program of the President of the Russian Federation Grant No. MK-2578.2021.1.2. The work of V.V.M. is supported by the Russian Science Foundation, Grant No. 21-72-10136. The computer simulations are performed on computational resources provided by the Uran supercomputer allocated by the IMM UB RAS. |
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| Дата |
2024-04-08T11:07:03Z
2024-04-08T11:07:03Z 2022 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Kashin, IV, Gerasimov, A & Mazurenko, VV 2022, 'Reciprocal space study of Heisenberg exchange interactions in ferromagnetic metals', Physical Review B, Том. 106, № 13, 134434. https://doi.org/10.1103/PhysRevB.106.134434
Kashin, I. V., Gerasimov, A., & Mazurenko, V. V. (2022). Reciprocal space study of Heisenberg exchange interactions in ferromagnetic metals. Physical Review B, 106(13), [134434]. https://doi.org/10.1103/PhysRevB.106.134434 2469-9950 Final All Open Access; Green Open Access https://arxiv.org/pdf/2112.13016 https://arxiv.org/pdf/2112.13016 http://elar.urfu.ru/handle/10995/131393 10.1103/PhysRevB.106.134434 85141530824 000883786800006 |
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| Язык |
en
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| Связанные ресурсы |
info:eu-repo/grantAgreement/RSF//21-72-10136
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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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