Interplay Between Electron Correlations, Magnetic State, and Structural Confinement in LaNiO3 Ultrathin Films
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Interplay Between Electron Correlations, Magnetic State, and Structural Confinement in LaNiO3 Ultrathin Films
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| Автор |
Vambold, N. O.
Sazhaev, G. A. Leonov, I. V. |
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| Описание |
We report a theoretical study of the effects of electron correlations and structural confinement on the electronic properties and magnetic state of LaNiO3 (LNO) thin films epitaxially deposited on the LaAlO3 (LAO) substrate. Using the DFT + U method we compute the electronic band structure, magnetic properties, and phase stability of the 1.5 unit-cell-thick NiO2-terminated LNO thin films. Our results reveal complex diversity of the electronic states caused by the effects of structural confinement, interfacial charge transfer and electronic correlations. Our calculations suggest the appearance of in-plane (110) charge disproportionation of the Ni ions in the interface NiO2 layer of the antiferromagnetically ordered LNO thin films. Moreover, the electronic states of both the antiferromagnetic and ferromagnetic LNO/LAO show a large orbital polarization of the Ni ions in the surface NiO2 layers. Our results suggest the crucial importance of oxygen defects to explain the metal-to-insulator phase transition experimentally observed in a few-unit-cell-thick LNO/LAO thin films. © Pleiades Publishing, Ltd. 2023. ISSN 0021-3640, JETP Letters, 2023, Vol. 118, No. 12, pp. 886–892. Pleiades Publishing, Ltd., 2023. ISSN 0021-3640, JETP Letters, 2023. Pleiades Publishing, Ltd., 2023. Russian Text The Author(s), 2023, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2023, Vol. 118, No. 12, pp. 882–888.
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| Дата |
2024-04-05T16:37:26Z
2024-04-05T16:37:26Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Vambold, N, Sazhaev, G & Leonov, I 2023, 'Interplay Between Electron Correlations, Magnetic State, and Structural Confinement in LaNiO3 Ultrathin Films', JETP Letters, Том. 118, № 12, стр. 886-892. https://doi.org/10.1134/S0021364023603287
Vambold, N., Sazhaev, G., & Leonov, I. (2023). Interplay Between Electron Correlations, Magnetic State, and Structural Confinement in LaNiO3 Ultrathin Films. JETP Letters, 118(12), 886-892. https://doi.org/10.1134/S0021364023603287 0021-3640 Final All Open Access, Green https://www.scopus.com/inward/record.uri?eid=2-s2.0-85179301662&doi=10.1134%2fS0021364023603287&partnerID=40&md5=8449be6f5ba380d0e5886136068f9758 https://arxiv.org/pdf/2310.07705 http://elar.urfu.ru/handle/10995/131039 10.1134/S0021364023603287 85179301662 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
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| Формат |
application/pdf
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| Издатель |
Pleiades Publishing
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| Источник |
JETP Letters
JETP Letters |
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