Magnetic superexchange couplings in 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">IrO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>

Zhang, Guoren; Pavarini, Eva

doi:10.1103/physrevb.104.125116

Cited by 2 publications

(1 citation statement)

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“…We -0.1 adopt the values (U, J) = (3.2, 0.4) eV, corresponding to an average Coulomb repulsion of U avg = 2.4 eV; this reproduces the small insulating gap well, as we have shown in Ref. [34]. We solve (12) with DMFT using the interaction-expansion continuous time quantum Monte Carlo impurity solver, in the implementation developed in Refs.…”

Section: Comparison To Dmftmentioning

confidence: 99%

Constraints on the two-dimensional pseudo-spin 1/2 Mott insulator description of Sr$_2$IrO$_4$

Zwartsenberg,

Day,

Razzoli

et al. 2022

Preprint

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Sr2IrO4 has often been described via a simple, one-band pseudo-spin 1/2 model, subject to electron-electron interactions, on a square lattice, fostering analogies with cuprate superconductors, believed to be well described by a similar model. In this work we argue -based on a detailed study of the low-energy electronic structure by circularly polarized spin and angle-resolved photoemission spectroscopy combined with dynamical mean-field theory calculations -that a pseudo-spin 1/2 model fails to capture the full complexity of the system. We show instead that a realistic multi-band Hubbard Hamiltonian, accounting for the full correlated t2g manifold, provides a detailed description of the interplay between spin-orbital entanglement and electron-electron interactions, and yields quantitative agreement with experiments. Our analysis establishes that the j 3/2 states make up a substantial percentage of the low energy spectral weight, i.e. approximately 74% as determined from the integration of the j-resolved spectral function in the 0 to −1.64 eV energy range. The results in our work are not only of relevance to iridium based materials, but more generally to the study of multi-orbital materials with closely spaced energy scales.

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Section: Comparison To Dmftmentioning

confidence: 99%