Direct probe of the variability of Coulomb correlation in iron pnictide superconductors

Article

关键词: SEMICONDUCTOR-METAL TRANSITION;    ATOMIC AUGER-SPECTRA;    PHOTOELECTRON-SPECTRA;    ELECTRONIC-STRUCTURE;    SPECTROSCOPY;    PROBABILITIES;    PHOTOEMISSION;    ZINC;    ZN;    GA;   

DOI  :  10.1103/PhysRevB.85.235133

来源: SCIE

【 摘 要 】

We use core-valence-valence Auger spectra to probe the Coulomb repulsion between holes in the valence band of Fe pnictide superconductors. By comparing the two-hole final-state spectra to density functional theory calculations of the single-particle density of states, we extract a measure of the electron correlations that exist in these systems. Our results show that the Coulomb repulsion is highly screened and can definitively be considered as weak. We also find that there are differences between the 1111 and 122 families and even a small variation as a function of the doping x in Ba(Fe1-xCox)(2)As-2. We discuss how the values of the hole-hole Coulomb repulsion obtained from our study relate to the onsite Coulomb parameter U used in model and first-principles calculations based on dynamical mean field theory and establish an upper bound for its effective value. Our results impose stringent constraints on model-based phase diagrams that vary with the quantity U or U/W by restricting the latter to a rather small range of values.

【 授权许可】

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