Spin density wave, charge density wave, and bond disproportionation wave instabilities in hole-doped infinite-layer RNiO2
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Spin density wave, charge density wave, and bond disproportionation wave instabilities in hole-doped infinite-layer RNiO2
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| Автор |
Slobodchikov, K. G.
Leonov, I. V. |
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| Тематика |
CHARGE DENSITY WAVES
CRYSTAL STRUCTURE DENSITY (OPTICAL) MEAN FIELD THEORY NICKEL COMPOUNDS SPIN DENSITY WAVES AB INITIO BAND STRUCTURE CHARGE STRIPES CHARGE-DENSITY-WAVES DISPROPORTIONATIONS DYNAMICAL MEAN-FIELD THEORY INFINITE-LAYER NICKELATES O-PLANES SPIN-DENSITY-WAVE WAVE INSTABILITY CHARGE DENSITY |
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| Описание |
Using ab initio band structure methods and DFT+dynamical mean-field theory approach we explore the possible formation of spin and charge stripes in the Ni-O plane of hole-doped infinite-layer nickelates, RNiO2. Our results reveal a remarkable instability of the C-type (110) spin state with undistorted lattice towards the formation of the spin density, charge and bond disproportionation stripe phases accompanied by in-plane"breathinglike"distortions of the crystal structure. Our work gives a comprehensive picture of competing charge and spin stripe states, with possible frustration of different stripe patterns upon doping. It suggests that the spin and charge stripe state likely arises from strong magnetic correlations (with concomitant lattice distortions), which play a key role for understanding the anomalous properties of hole-doped layered nickelates. © 2022 American Physical Society.
Russian Science Foundation, RSF, (22-22-00926) I.V.L. is deeply appreciative to Vasily I. Leonov for his constant help and assistance. We acknowledge support by the Russian Science Foundation Project No. 22-22-00926 . |
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| Дата |
2024-04-08T11:07:02Z
2024-04-08T11:07:02Z 2022 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) info:eu-repo/semantics/submittedVersion |
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| Идентификатор |
Slobodchikov, KG & Leonov, IV 2022, 'Spin density wave, charge density wave, and bond disproportionation wave instabilities in hole-doped infinite-layer RNiO2', Physical Review B, Том. 106, № 16, 165110. https://doi.org/10.1103/PhysRevB.106.165110
Slobodchikov, K. G., & Leonov, I. V. (2022). Spin density wave, charge density wave, and bond disproportionation wave instabilities in hole-doped infinite-layer RNiO2. Physical Review B, 106(16), [165110]. https://doi.org/10.1103/PhysRevB.106.165110 2469-9950 Final All Open Access; Green Open Access https://arxiv.org/pdf/2206.06985 https://arxiv.org/pdf/2206.06985 http://elar.urfu.ru/handle/10995/131389 10.1103/PhysRevB.106.165110 85139781426 000871069900001 |
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| Язык |
en
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| Связанные ресурсы |
info:eu-repo/grantAgreement/RSF//22-22-00926
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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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