Nonlocal Coulomb Correlations In Pure And Electron-Doped Sr2iro4: Spectral Functions, Fermi Surface, And Pseudo-Gap-Like Spectral Weight Distributions From Oriented Cluster Dynamical Mean-Field Theory

PHYSICAL REVIEW MATERIALS(2018)

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Abstract
We address the role of nonlocal Coulomb correlations and short-range magnetic fluctuations in the high-temperature phase of Sr2IrO4 within state-of-the-art spectroscopic and first-principles theoretical methods. Introducing an "oriented-cluster dynamical mean-field scheme", we compute momentum-resolved spectral functions, which we find to be in excellent agreement with angle-resolved photoemission spectra. We show that while short-range antiferromagnetic fluctuations are crucial to accounting for the electronic properties of Sr2IrO4 even in the high-temperature paramagnetic phase, long-range magnetic order is not a necessary ingredient of the insulating state. Upon doping, an exotic metallic state is generated, exhibiting cuprate-like pseudo-gap spectral properties, for which we propose a surprisingly simple theoretical mechanism.
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Key words
nonlocal coulomb correlations,fermi surface,spectral functions,electron-doped,pseudo-gap-like,mean-field
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