arXiv subjects

Yu-Han Cao

Publications and source records attributed to Yu-Han Cao.

4 recordsLinked to original sources

arXiv2026

Tunable superconductivity and spin density wave in La3Ni2O7/LaAlO3 thin films

Recently, La3Ni2O7 thin film on the LaAlO3 substrate is shown to be superconducting, while the bulk La3Ni2O7 with the same in-plane lattice constant under pressure does not superconduct. This difference suggests the interlayer distance $d_{\rm Ni-Ni}$ is crucial to control superconductivity, and its variation under pressure may tune the ground state sensitively. We investigate systematically the La3Ni2O7/LaAlO3 thin films in a reasonable range of $d_{\rm Ni-Ni}$, by a combination of the first-principle calculations and the singular-mode functional renormalization group. For smaller (larger) $d_{\rm Ni-Ni}$, the ground state is a C-type (G-type) spin density wave with spins coupled ferromagnetically (antiferromagnetically) across the two layers. Between the two phases, $s_\pm$-wave superconductivity emerges with dominant pairings between nickel $3d_{3z^2-r^2}$ orbitals. The results explain the experimental superconductivity in the thin film under ambient pressure, and predict that the applied pressure will decrease the superconducting transition temperature, until the system enters the C-type spin density wave. Experimental verification would provide profound insights into the nature of electron correlations in this system, since the C-type spin density wave is achieved most naturally in the itinerant picture, while it would be hard in the local moment picture where spins are always coupled antiferromagnetically across the layers.

cond-mat.supr-con↗

arXiv2025

Dual instability of superconductivity from oxygen defects in La$_3$Ni$_2$O$_{7+\delta}$

We uncover a dual mechanism by which oxygen defects suppress superconductivity in the bilayer nickelate La$_3$Ni$_2$O$_{7+\delta}$ using density functional theory, dynamical mean-field theory, and functional renormalization group analysis. Apical vacancies and interbilayer interstitials emerge as the dominant low-energy defect species and are further stabilized by orthorhombic domain walls. These two defect classes drive the electronic structure in opposing directions. Vacancy-induced disorder generates local magnetic moments and promotes Anderson localization at moderate concentrations, whereas periodic interstitial ordering yields a coherent but weakly correlated metallic background that fails to support superconductivity. These findings highlight the decisive role of oxygen defects in shaping the superconducting and provide microscopic guidance for improving superconductivity through controlled defect engineering.

cond-mat.supr-con↗

arXiv2025

Strain-Engineered Electronic Structure and Superconductivity in La$_3$Ni$_2$O$_7$ Thin Films

Recently, the films of the Ruddlesden-Popper (RP) nickelate superconductors, in which the (La,Pr)$_3$Ni$_2$O$_7$ system exhibits a remarkable transition temperature $T_c$ exceeding 40 K, were synthesized at ambient pressure. We systematically investigate the band structures and electronic correlation effect to identify the key factors controlling superconductivity and pathways to enhance $T_c$. Based on density functional theory (DFT) calculations, we construct a bilayer two-orbital ($3d_{3z^2-r^2}$ and $3d_{x^2-y^2}$) tight-binding model for a series of in-plane compression mimicking the substrate effect. We find the band energy at the $M$ point drops with the compression, leading to increase of the density of states at the Fermi level, in stark contrast to the behavior of the bulk under pressure. We then apply functional renormalization group (FRG) method to study the electronic correlation effect on the superconductivity. We find the $s_\pm$-wave pairing symmetry remains robust in the films, the same as the bulk. But somewhat surprisingly, for the films, we find $T_c$ can be enhanced by reducing the in-plane lattice constant, increasing the out-of-plane lattice constant, or further electron-doping. These findings are consistent with the itinerant picture of the superconductivity induced by spin-fluctuations and provide theoretical support for further boosting $T_c$ in future experiments.

cond-mat.supr-con↗

arXiv2024

Theory of Pressure Dependence of Superconductivity in Bilayer Nickelate La$_3$Ni$_2$O$_{7}$

The recent experiment shows the superconducting transition temperature in the Ruddlesden-Popper bilayer La$_3$Ni$_2$O$_{7}$ decreases monotonically with increasing pressure above 14 GPa. In order to unravel the underlying mechanism for this unusual dependence, we performed theoretical investigations by combining the density functional theory (DFT) and the unbiased functional renormalization group (FRG). Our DFT calculations show that the Fermi pockets are essentially unchanged with increasing pressure (above 14 GPa), but the bandwidth is enlarged, and particularly the interlayer hopping integral between the nickel $3d_{3z^2-r^2}$ orbitals is enhanced. From the DFT band structure, we construct the bilayer tight-binding model in terms of the nickel $3d_{3z^2-r^2}$ and $3d_{x^2-y^2}$ orbitals. On this basis, we investigate the superconductivity induced by correlation effects by FRG calculations. We find consistently $s_\pm$-wave pairing triggered by spin fluctuations, but the latter are weakened by pressure and lead to a decreasing transition temperature versus pressure, in qualitatively agreement with the experiment. We emphasize that the itinerancy of the $d$-orbitals is important and captured naturally in our FRG calculations, and we argue that the unusual pressure dependence would be unnatural, if not impossible, in the otherwise local-moment picture of the nickel $d$-orbitals. This sheds lights on the pertinent microscopic description of, and more importantly the mechanism of superconductivity in La$_3$Ni$_2$O$_{7}$.

cond-mat.supr-con↗