Magnetic phase diagram of a two-orbital model for bilayer nickelates varying doping

Abstract

Motivated by the recently discovered high-$T_c$ bilayer nickelate superconductor La${}_3$Ni${}_2$O${}_7$, we comprehensively research a bilayer $2\times 2\times 2$ cluster for different electronic densities $n$ by using the Lanczos method. We also employ the random-phase approximation to quantify the first magnetic instability with increasing Hubbard coupling strength, also varying $n$. Based on the spin structure factor $S(q)$, we have obtained a rich magnetic phase diagram in the plane defined by $n$ and $U/W$, at fixed Hund coupling. We have observed numerous states, such as A-AFM, Stripes, G-AFM, and C-AFM. For half-filling $n=2$ (two electrons per Ni site, corresponding to $N$ = 16 electrons), the canonical superexchange interaction leads to a robust G-AFM state $(\pi ,\pi ,\pi )$ with antiferromagnetic couplings in plane and between layers. By increasing or decreasing electronic densities, ferromagnetic tendencies emerge from the ``half-empty'' and ``half-full'' mechanisms, leading to many other interesting magnetic tendencies. In addition, the spin-spin correlations become weaker both in the hole or electron doping regions compared with half-filling. At $n=1.5$ (or $N=12$), density corresponding to La${}_3$Ni${}_2$O${}_7$, we obtained the ``Stripe 2'' ground state (antiferromagnetic coupling in one in-plane direction, ferromagnetic coupling in the other, and antiferromagnetic coupling along the $z$-axis) in the $2\times 2\times 2$ cluster. In addition, we obtained a much stronger AFM coupling along the $z$-axis than the magnetic coupling in the $xy$ plane. The random-phase approximation calculations with varying $n$ give very similar results as Lanczos. Meanwhile, a state with $q/\pi =(0.6,0.6,1)$ close to the E-phase wavevector is found in our RPA calculations by slightly reducing the filling to $n=1.25$, possibly responsible for the E-phase SDW recently observed in experiments.

12 pages, 9 figures

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Cited by in corpus (13)

• Spin-density wave and superconductivity in La${}_4$Ni${}_3$O${}_{10}$ under ambient pressure
• Intertwined charge and spin instability of La${}_3$Ni${}_2$O${}_7$
• $t$-$J$ model for strongly correlated two-orbital systems: Application to bilayer nickelate superconductors
• Magnetic Correlations and Pairing Tendencies of the Hybrid Stacking Nickelate Superlattice La${}_7$Ni${}_5$O${}_{17}$ (La${}_3$Ni${}_2$O${}_7$/La${}_4$Ni${}_3$O${}_{10}$) under Pressure
• Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La${}_3$Ni${}_2$O${}_7$ at Ambient Pressure
• Electronic Structure, Magnetic and Pairing Tendencies of Alternating Single-layer Bilayer Stacking Nickelate La${}_5$Ni${}_3$O${}_{11}$ Under Pressure
• Possible Liquid-Nitrogen-Temperature Superconductivity Driven by Perpendicular Electric Field in the Single-Bilayer Film of La${}_3$Ni${}_2$O${}_7$ at Ambient Pressure
• General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$-layered superconductors La${}_{m+1}$Ni${}_m$O${}_{3m+1}$
• Variational Quantum Monte Carlo investigations of the superconducting pairing in La${}_3$Ni${}_2$O${}_7$
• Optical control of the crystal structure in the bilayer nickelate superconductor La3Ni2O7 via nonlinear phononics
• Orbital-selective electron correlations in high-$T_{\mathrm{c}}$ bilayer nickelates: from a global phase diagram to implications for spectroscopy
• Compressive Strain Turns $s^{\pm }$ into $d$-Wave Pairing in One-unit-cell La${}_3$Ni${}_2$O${}_7$ Thin Film Via Substrate-Induced Hole Doping
• Weak coupling theory of nickel-based 327 superconductors