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Free keywords:
Approximation algorithms, Charge density, Charge density waves, Electronic properties, Spin orbit coupling, Transition metal compounds, Transition metals, X ray scattering, Anti-ferromagnetic fluctuations, Ferromagnetic fluctuation, Hubbard Hamiltonians, Hubbard interaction, Magnetic excitations, Non-centrosymmetric, Random phase approximations, Resonant inelastic x-ray scattering, Mott insulators
Abstract:
We study a two-dimensional single-band Hubbard Hamiltonian with antisymmetric spin-orbit coupling. We argue that this is the minimal model to understand the electronic properties of locally noncentrosymmetric transition metal (TM) oxides such as Sr2IrO4. Based on exact diagonalizations of small clusters and the random-phase approximation, we investigate the correlation effects on charge and magnetic order as a function of doping and of the TM-oxygen-TM bond angle θ. For small doping and θ≲15∘ we find dominant commensurate in-plane antiferromagnetic fluctuations, while ferromagnetic fluctuations dominate for θ≳25∘. Moderately strong nearest-neighbor Hubbard interactions can also stabilize a charge density wave order. Furthermore, we compare the dispersion of magnetic excitations for the hole-doped case to resonant inelastic x-ray scattering data and find good qualitative agreement. © 2021 American Physical Society.
