local magnetic moments and interply EPC in the nickelate. [6/6 of https://arxiv.org/abs/2504.13025v1]

Ni and La atoms. 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 [5/6 of https://arxiv.org/abs/2504.13025v1]

($\sim$4$\times$) due to the presence of magnetism in the $C$-AFM phase. This enhancement arises from strong interactions between the flat bands associated with the Ni-3$d_{z^2}$ orbitals and the low-frequency phonon modes driven by the vibrations of [4/6 of https://arxiv.org/abs/2504.13025v1]

non-magnetic (NM) and the $C$-type antiferromagnetic ($C$-AFM) phase using advanced density functional theory methods without invoking $U$ or other free parameters. The weak EPC strength $\lambda$ in the NM phase is found to be greatly enhanced [3/6 of https://arxiv.org/abs/2504.13025v1]

effects in the nickelates have been extensively studied, the role of electron-phonon coupling (EPC) remains highly controversial. Here, by taking pristine LaNiO$_2$ as an exemplar nickelate, we present an in-depth study of EPC for both the [2/6 of https://arxiv.org/abs/2504.13025v1]

arXiv:2504.13025v1 Announce Type: new
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 [1/6 of https://arxiv.org/abs/2504.13025v1]

Zhang, Wang, Engel, Lane, Miranda, Hou, Chowdhury, Singh, Barbiellini, Zhu, Markiewicz, Gross, Kresse, Bansil, Sun: Magnetism-Enhanced Strong Electron-Phonon Coupling in Infinite-Layer Nickelate https://arxiv.org/abs/2504.13025 https://arxiv.org/pdf/2504.13025 https://arxiv.org/html/2504.13025

A new study published on #PRX Energy shows how the #r2SCAN meta-GGA functional can accurately capture strong #ElectronPhononCoupling effects in challenging materials, such as transition metal oxides, without the introduction of Hubbard U parameters.

journals.aps.org/prxenergy/ab...

A new study published on #PRX Energy shows how the #r2SCAN meta-GGA functional can accurately capture strong #ElectronPhononCoupling effects in challenging materials, such as transition metal oxides, without the introduction of Hubbard U parameters.

journals.aps.org/prxenergy/ab...