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Zi Yuan

Publications and source records attributed to Zi Yuan.

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Emergent $s+id$ Superconductivity from the Interplay between Electronic Correlations and Electron-Phonon Coupling in $\mathrm{R}_{1-x}\mathrm{Sr}_x\mathrm{NiO}_2$

Recent tunneling measurements on infinite-layer nickelates have revealed spatially varying superconducting symmetries, whose microscopic origin remains unclear. Motivated by this observation, we investigate the interplay between electron correlations and electron-phonon interactions in infinite-layer nickelates by combining first-principles calculations with the fluctuation-exchange-Migdal-Eliashberg theory. Our calculations show that spin fluctuations yield robust $d$-wave superconductivity on the Ni $d_{x^2-y^2}$ orbital, whereas electron-phonon coupling induces $s$-wave pairing on an interstitial orbital, leading to an $s+id$ superconducting state. The emergence of the $s$-wave component is strongly carrier-density dependent: an intermediate electron-phonon coupling of $\lambda=0.4$ stabilizes the $s+id$ state at $n=0.9$ but not at $n=0.8$. These results imply that local oxygen defects tune the local electron density and form finite-size domains with distinct pairing symmetries, offering a compelling explanation for the spatially inhomogeneous superconducting symmetries observed in experiments.

cond-mat.str-el

Interplay of Kekulé bond order and lattice instability in $\mathrm{C}_6\mathrm{Li}$

Understanding the interplay between charge order and lattice instability in quantum materials remains a central challenge, as their coexistence often obscures causal relationships. This work introduces $\mathrm{C}_6\mathrm{Li}$ as a novel platform to investigate charge order mediated by two distinct mechanisms. We show that the hybridization between carbon $π$ and lithium $s$ orbitals generates an effective long-range hopping within Li-centered hexagons. This hopping drives a Kekulé bond order, whose structure varies with charge density and the sign of the hopping. This bond order induces a Kekulé lattice distortion via electron-phonon coupling. In the limit where lithium atoms are distant from the graphene layer, a Fermi surface nesting-driven Kekulé bond order emerges, stabilized by the electron-phonon interaction. Our results establish $\mathrm{C}_6\mathrm{Li}$ as a tunable platform for elucidating the causal hierarchy between electronic and structural orders in quantum materials.

cond-mat.str-el