Inversion symmetry breaking in bilayer multi-orbital Hubbard model with impurity approximation

Abstract

We investigated the Cu/Ni-O${}_2$ bilayer multi-orbital Hubbard model with Cu/Ni impurity approximation embedded in the O lattice by incorporating the 3d${}^8$ multiplet structure coupled to a full O-2p band. For this simplified model of describing the local electronic structure of hole doped homo-bilayer Cu(Ni)O${}_2$-Cu(Ni)O${}_2$ and hetero-bilayer CuO${}_2$-NiO${}_2$, we demonstrate that the homo-bilayer system hosts rich phase diagram with inversion symmetry breaking between two layers at strong enough interlayer hybridization, especially the coexistence of two-hole singlet and triplet states in opposite layers. Besides, we show that the interlayer hybridization in hetero-bilayer systems destabilizes the Zhang-Rice singlets or 3d${}^8$ triplets within each layer via charge transfer between layers. The relevance of these electronic redistribution to the bilayer or interface systems of cuprates and/or nickelates are discussed.

arXiv comment11 pages, 8 figures

References in corpus (29)

• Bose-Einstein Condensation of Excitons in Bilayer Electron Systems
• The Hubbard Model
• The critical nature of the Ni spin state in doped NdNiO${}_2$
• Order-Disorder Transition in a Two-Layer Quantum Antiferromagnet
• Pressure-induced monotonic enhancement of Tc to over 30 K in the superconducting Pr0.82Sr0.18NiO2 thin films
• Superconductivity in a unique type of copper oxide
• Origin of the material dependence of $T_c$ in the single-layered cuprates
• Competing magnetic orders in a bilayer Hubbard model with ultracold atoms
• High-spin polaron in lightly doped CuO${}_2$ planes
• High Tc via spin fluctuations from incipient bands: application to monolayers and intercalates of FeSe
• The dynamics of a doped hole in cuprates is not controlled by spin fluctuations
• Phase diagram of nickelate superconductors calculated by dynamical vertex approximation
• Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications
• Nickelate superconductors: an ongoing dialog between theory and experiments
• Direct Observation of Orbital Hybridisation in a Cuprate Superconductor
• Differences in the quasiparticle dynamics for one-band and three-band cuprate models
• Non-Zhang-Rice singlet character of the first ionization state of T-CuO
• Nonlocal density interactions in auxiliary-field quantum Monte Carlo simulations: application to the square lattice bilayer and honeycomb lattice
• Relevance of Cu-3d multiplet structure in models of high Tc cuprates
• Magnetism and Pairing in Hubbard Bilayers.
• Effects of intrabilayer coupling on the magnetic properties of YBa${}_2$Cu${}_3$O${}_6$
• Superfluidity and Density Order in a Bilayer Extended Hubbard Model
• Unravelling local spin polarization of Zhang-Rice singlet in lightly hole-doped cuprates using high-energy optical conductivity
• Resonant pair-exchange scattering and BCS-BEC crossover in a system composed of dispersive and heavy incipient bands: a Feshbach analogy
• Ground state properties and dynamics of the bilayer t-J model
• Enhancing $T_{\mathrm{c}}$ in a composite superconductor/metal bilayer system: a dynamical cluster approximation study
• Superconductivity enhanced by pair fluctuations between wide and narrow bands
• Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors
• Biexciton Condensation in Electron-hole Doped Hubbard Bilayers -- A Sign-Problem-Free Quantum Monte Carlo Study

Cited by in corpus (1)

• Intertwined charge and spin instability of La${}_3$Ni${}_2$O${}_7$