Electron-phonon interaction in Fe-based superconductors: Coupling of magnetic moments with phonons in LaFeAsO${}_{1-x}$F${}_x$

Abstract

The coupling of Fe magnetic moments in LaFeAsO${}_{1-x}$F${}_x$ with the As $A_{1g}$ phonon is calculated. We present first principles calculations of the atomic and electronic structure of LaFeAsO as a function of electron doping. We perform calculations using the virtual crystal approximation as well as supercell calculations with F substitutional impurity atoms. The results validate the virtual crystal approximation for the electronic structure near the Fermi level. Its is found that the electronic density of states at the Fermi level is maximum for x=0.125, enhancing the electron-phonon interaction. An additional increase of the electron-phonon parameter $\lambda$ is obtained if the coupling between the $A_{1g}$ phonon and the Fe magnetic moment is included. It is found that the electron-phonon interaction can be one order of magnitude larger than its value if no spin resolution is included in the calculation. The implications of these results on the superconducting transition are discussed

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• Ultrafast Quasiparticle Dynamics and Electron-Phonon Coupling in (Li0.84Fe0.16)OHFe0.98Se
• The influence of spin-phonon coupling on antiferromagnetic spin fluctuations in FeSe under pressure: the First-principles calculations with van der Waals corrections
• Close correlation between magnetic properties and the soft phonon mode of the structural transition in BaFe${}_2$As${}_2$ and SrFe${}_2$As${}_2$
• Soft and Isotropic Phonons in PrFeAsO_{1-y}
• Coupling of the A_{1g} As-phonon to magnetism in iron pnictides
• Anomalous magneto-elastic coupling in Au-doped BaFe2As2
• Superconductivity-induced Phonon Renormalization on NaFe${}_{1-x}$Co${}_x$As
• Single 20meV boson mode in KFe2As2 detected by point-contact spectroscopy
• Nematic response revealed by coherent phonon oscillations in BaFe${}_2$As${}_2$