Magnetism-enhanced strong electron-phonon coupling in infinite-layer nickelates

Intriguing analogies between the nickelates and the cuprates provide a promising avenue for unraveling the microscopic mechanisms underlying high-${T}_{c}$ superconductivity. While electron correlation effects in the nickelates have been extensively studied, the role of electron-phonon coupling (EPC) remains highly controversial. Here, by taking pristine ${\mathrm{LaNiO}}_{2}$ as an exemplar nickelate, we present an in-depth study of EPC for both the nonmagnetic (NM) and the $C$-type antiferromagnetic ($C$-AFM) phases using advanced density functional theory methods without invoking $U$ or other free parameters. The weak EPC strength $\ensuremath{\lambda}$ in the NM phase is found to be greatly enhanced ($\ensuremath{\sim}4\ifmmode\times\else\texttimes\fi{}$) due to the presence of magnetism in the $C$-AFM phase. This enhancement arises from strong interactions between the flat $\mathrm{Ni}\text{\ensuremath{-}}3d{z}^{2}$ bands and the low-frequency phonon modes associated with Ni and La vibrations, rather than solely from the high-frequency oxygen breathing modes. The resulting phonon softening is shown to yield a distinctive kink in the electronic structure around 15 meV, which would provide an experimentally testable signature of our predictions. Our study highlights the critical role of local magnetic moments and EPC in the nickelate.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-11-25
DOI
https://doi.org/10.1103/84jh-sx4m
Primary Topic
Magnetic and transport properties of perovskites and related materials
Type
article
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article

Magnetism-enhanced strong electron-phonon coupling in infinite-layer nickelates

Karl J. Friston
Physical review. B./Physical review. B
Magnetic and transport properties of perovskites and related materials
article

Magnetism-enhanced strong electron-phonon coupling in infinite-layer nickelates

Karl J. Friston
article en

Abstract

Intriguing analogies between the nickelates and the cuprates provide a promising avenue for unraveling the microscopic mechanisms underlying high-${T}_{c}$ superconductivity. While electron correlation effects in the nickelates have been extensively studied, the role of electron-phonon coupling (EPC) remains highly controversial. Here, by taking pristine ${\mathrm{LaNiO}}_{2}$ as an exemplar nickelate, we present an in-depth study of EPC for both the nonmagnetic (NM) and the $C$-type antiferromagnetic ($C$-AFM) phases using advanced density functional theory methods without invoking $U$ or other free parameters. The weak EPC strength $\ensuremath{\lambda}$ in the NM phase is found to be greatly enhanced ($\ensuremath{\sim}4\ifmmode\times\else\texttimes\fi{}$) due to the presence of magnetism in the $C$-AFM phase. This enhancement arises from strong interactions between the flat $\mathrm{Ni}\text{\ensuremath{-}}3d{z}^{2}$ bands and the low-frequency phonon modes associated with Ni and La vibrations, rather than solely from the high-frequency oxygen breathing modes. The resulting phonon softening is shown to yield a distinctive kink in the electronic structure around 15 meV, which would provide an experimentally testable signature of our predictions. Our study highlights the critical role of local magnetic moments and EPC in the nickelate.

Physical review. B./Physical review. BVol. 112(24)
Tulane University (US), Tata Institute of Fundamental Research (IN), University of Vienna (AT), Los Alamos National Laboratory (US), Howard University (US), Hebrew University of Jerusalem (IL), VASP Software (Austria) (AT), Lappeenranta-Lahti University of Technology (FI), Universidad del Noreste (MX)
Openalex Percentile: Top 70%
Magnetic and transport properties of perovskites and related materials
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Magnetism-enhanced strong electron-phonon coupling in infinite-layer nickelates — Karl J. Friston · Physical review. B./Physical review. B (2025) | TGRS Research Map | TGRS