Where Are the Extra d Electrons in Transition-Metal Substituted Fe Pnictides?

Abstract

Transition-metal substitution in Fe pnictides leading to superconductivity is usually interpreted in terms of carrier doping to the system. We report on a density functional calculation of the local substitute electron density and demonstrate that substitutions like Co and Ni for Fe do not carrier dope but rather are isovalent to Fe. We find that the extra d electrons for Co and Ni are almost totally located within the muffin-tin sphere of the substituted site. We suggest that Co and Ni act more like random scatterers scrambling momentum space and washing out parts of the Fermi surface.

4 pages, 5 figures

References in corpus (7)

• Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2
• Superconductivity at 22 K in Co-doped BaFe2As2 Crystals
• Spin density wave anomaly at 140 K in the ternary iron arsenide BaFe2As2
• Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family
• Extreme Sensitivity of Superconductivity to Stoichiometry in FeSe (Fe1+dSe)
• Thorium-doping induced superconductivity up to 56 K in Gd1-xThxFeAsO
• Effects of cobalt doping and three-dimensionality in $BaF{e}_{2}A{s}_2$

Cited by in corpus (39)

• High-temperature superconductivity in iron-based materials
• Iron-Based Superconductors: current status of materials and pairing mechanism
• On the multi-orbital band structure and itinerant magnetism of iron-based superconductors
• Magnetoelastic Coupling in the Phase Diagram of Ba1-xKxFe2As2
• Dependence of carrier doping on the impurity potential in transition-metal-substituted FeAs-based superconductors
• High-pressure flux growth, structural, and superconducting properties of LnFeAsO (Ln = Pr, Nd, Sm) single crystals
• Electron-Hole Asymmetry in Superconductivity of Pnictides Originated from the Observed Rigid Chemical Potential Shift
• Probing the role of Co substitution in the electronic structure of iron-pnictides
• Effect of 3d-doping on the electronic structure of BaFe2As2
• Universal pair-breaking in transition metal-substituted iron-pnictide superconductors
• Unexpected weak spatial variation of local density of sates induced by individual Co impurity atoms in Na(Fe{1-x}Cox)As as revealed by scanning tunneling spectroscopy
• 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${}^{2+}$
• The anomaly Cu doping effects on LiFeAs superconductors
• Upper critical field anisotropy in BaFe2-xCoxAs2 single crystals synthesized without flux
• Possible unconventional superconductivity in substituted BaFe${}_2$As${}_2$ revealed by magnetic pair-breaking studies
• Doping-Dependent and Orbital-Dependent Band Renormalization in Ba(Fe_1-xCo_x)_2As_2 Superconductors
• Effect of weak disorder on the phase competition in iron pnictides
• Superconductivity by rare earth doping in the 1038-type compounds (Ca${}_{1-x}$RE${}_x$)${}_{10}$(FeAs)${}_{10}$(Pt${}_3$As${}_8$) with RE = Y, La-Nd, Sm-Lu
• Spatial Inhomogeneity in RFeAsO1-xFx (R =Pr, Nd) Determined from Rare Earth Crystal Field Excitations
• Magnetic neutron scattering studies on the Fe-based superconductor system Fe${}_{1+y}$Te${}_{1-x}$Se${}_x$
• Local breaking of four-fold rotational symmetry by short-range magnetic order in heavily overdoped Ba(Fe${}_{1-x}$Cu${}_x$)${}_2$As${}_2$
• Revealing the degree of magnetic frustration by non-magnetic impurities
• Fermi surfaces and Phase Stability of Ba(Fe${}_{1-x}$M${}_x$)${}_2$As${}_2$ (M=Co, Ni, Cu, Zn)
• The electronic structure of Co-substituted $\text{Fe}\text{Se}$ superconductor probed by soft X-ray spectroscopy and density functional theory
• Breakdown of Chemical Scaling for Pt-Doped CaFe2As2
• Substitution of Ni for Fe in superconducting Fe${}_{0.98}$Te${}_{0.5}$Se${}_{0.5}$ depresses the normal-state conductivity but not the magnetic spectral weight
• Incoherent electronic band states in Mn-substituted BaFe${}_2$As${}_2$
• Evolution of quasiparticle states with and without a Zn-impurity in doped 122 iron pnictides
• Single nonmagnetic impurity resonance in FeSe-based 122-type superconductors as a probe for pairing symmetry
• Non-rigid band shift and non-monotonic electronic structure changes upon doping in the normal state of the pnictide high temperature superconductor Ba2(Fe1-xCox)2As2
• Effect of electron doping in FeTe${}_{1-y}$Se${}_y$ realized by Co and Ni substitution
• RKKY coupled local moment magnetism in NaFe${}_{1-x}$Cu${}_x$As
• Effect of transition-metal substitution in iron-based superconductors
• Orbital-selective Mott phase of Cu-substituted iron-based Superconductors
• Local transformation of the Electronic Structure and Generation of Free Carriers in Cuprates and Ferropnictides under Heterovalent and Isovalent Doping
• Enhanced low-energy magnetic excitations evidencing the Cu-induced localization in an Fe-based superconductor Fe${}_{0.98}$Te${}_{0.5}$Se${}_{0.5}$
• Fluctuating magnetism of Co- and Cu-doped NaFeAs
• Robust $s_{\pm }$-wave superconductivity against multi-impurity in iron-based superconductors
• Observation of the Dirac Dispersions in Co-doped CaFe2As2