Charge doping versus impurity scattering in chemically substituted iron-pnictides

Abstract

To reveal the relative importance of charge doping and defect scattering in substitutionally modified 122 iron pnictides, we perform a systematic first principles study on selected bands at the Fermi level. Disorder effects are induced by various substitutions using an orbital based coherent potential approximation (CPA). Pronounced level shifts of individual bands suggest that transition metal substitutions introduce mobile charge carriers into the system. However, important deviations from such a rigid band scenario as well as spectral broadenings due to impurity scattering correlate with the band character. Finally a $T$-matrix analysis exhibits a larger intraband than interband scattering consistent with an $s^{+-}$ pairing state. Comparing different substitutions reveals an increase of pair-breaking along the transition metal series.

References in corpus (13)

• Hall effect and resistivity study of the magnetic transition, carrier content and Fermi liquid behavior in Ba(Fe(1-x) Cox)2As2
• Where Are the Extra d Electrons in Transition-Metal Substituted Fe Pnictides?
• Do Transition Metal Substitutions Dope Carriers in Iron Based Superconductors?
• Superfluid density and penetration depth in Fe-pnictides
• Electron-Hole Asymmetry in Superconductivity of Pnictides Originated from the Observed Rigid Chemical Potential Shift
• Pressure versus concentration tuning of the superconductivity in Ba(Fe(1-x)Cox)2As2
• Effective doping and suppression of Fermi surface reconstruction via Fe vacancy disorder in KxFe2-ySe2
• Universal pair-breaking in transition metal-substituted iron-pnictide superconductors
• Electronic structure of single-crystalline Sr(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$ probed by x-ray absorption spectroscopy: Evidence for isovalent substitution of Fe${}^{2+}$ by Co${}^{2+}$
• Effects of disordered Ru substitution in BaFe${}_2$As${}_2$: Realization of superdiffusion mechanism in real materials
• Of Substitution and Doping: Spatial and Electronic Structure in Fe Pnictides
• Fermi surfaces and Phase Stability of Ba(Fe${}_{1-x}$M${}_x$)${}_2$As${}_2$ (M=Co, Ni, Cu, Zn)
• Theoretical investigation of the electronic and magnetic properties of the orthorhombic phase of Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$

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• Electronic structure and ultrafast dynamics of FeAs-based superconductors by angle- and time-resolved photoemission spectroscopy
• Study of the hyperfine fields in the BaFe${}_2$As${}_2$ family and its relation to the magnetic moment
• Effect of electron doping in FeTe${}_{1-y}$Se${}_y$ realized by Co and Ni substitution
• Band Engineering of Dirac cones in Iron Chalcogenides