Effect of 3d-doping on the electronic structure of BaFe2As2

Abstract

The electronic structure of BaFe2As2 doped with Co, Ni, and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence of the distribution of Co, Ni, and Cu 3d states in the valence band. We conclude that the Co and Ni 3d states provide additional free carriers to the Fermi level, while the Cu 3d states are found at the bottom of the valence band in a localized 3d10 shell. These findings help shed light on why superconductivity can occur in BaFe2As2 doped with Co and Ni but not Cu.

18 pages, 8 figures

References in corpus (26)

• Superconductivity at 22 K in Co-doped BaFe2As2 Crystals
• Electronic Structure and Doping in BaFe${}_2$As${}_2$ and LiFeAs: Density Functional Calculations
• Anisotropic thermodynamic and transport properties of single crystalline (Ba${}_{1-x}$K${}_x$)Fe${}_2$As${}_2$ (x = 0 and 0.45)
• Hall effect and resistivity study of the magnetic transition, carrier content and Fermi liquid behavior in Ba(Fe(1-x) Cox)2As2
• Bulk sensitive x-ray absorption spectroscopy free of self-absorption effects
• Temperature-doping phase diagrams for Ba(Fe1-xTMx)2As2(TM=Ni, Cu, Cu / Co) single crystals
• Role of multiband effects and electron-hole asymmetry in the superconductivity and normal state properties of Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Evidence for weak electronic correlations in Fe-pnictides
• Where Are the Extra d Electrons in Transition-Metal Substituted Fe Pnictides?
• Multi-Pion States in Lattice QCD and the Charged-Pion Condensate
• Electronic structure of heavily electron-doped BaFe${}_{1.7}$Co${}_{0.3}$As${}_2$ studied by angle-resolved photoemission
• Evidence for Strong Itinerant Spin Fluctuations in the Normal State of CeFeAsO(0.89)F(0.11) Iron-Oxypnictides
• High Pressure Studies on Fe-Pnictide Superconductors
• On the electronic structure of electron doped LaOFeAs as seen by X-ray absorption spectroscopy
• Co-substitution effects on the Fe-valence in the BaFe2As2 superconducting compound: A study of hard x-ray absorption spectroscopy
• Effects of cobalt doping and three-dimensionality in $BaF{e}_{2}A{s}_2$
• X-ray spectra and electronic structure of FeAs superconductors
• Electronic structure of oxygen-free 38K superconductor Ba1-xKxFe2As2 in comparison with BaFe2As2 from first principles
• A high resolution, hard X-ray photoemission investigation of BaFe${}_2$As${}_2$: moderate influence of the surface and evidence for a low degree of Fe 3d - As 4p hybridization of the near-E${}_F$ electronic states
• Strength of correlations in pnictides and its assessment by theoretical calculations and spectroscopy experiments
• Effect of 3d-doping on the electronic structure of BaFe2As2
• Effective carrier type and field-dependence of the reduced-Tc superconducting state in SrFe(2-x)Ni(x)As2
• Electronic structure of CaFe2As2: Contribution of itinerant Fe 3d-states to the Fermi Level
• Different effects of Ni and Co substitution on the transport properties of BaFe2As2
• The electronic structure of LiFeAs and NaFeAs probed by resonant inelastic x-ray scattering spectra
• Short distance potential and the thick center vortex model

Cited by in corpus (18)

• Crystal Growth and Physical Properties of SrCu2As2, SrCu2Sb2 and BaCu2Sb2
• Superconducting and Normal State Properties of APd2As2 (A = Ca, Sr, Ba) Single Crystals
• Phase diagram and physical properties of NaFe${}_{1-x}$Cu${}_x$As single crystals
• Effect of 3d-doping on the electronic structure of BaFe2As2
• The anomaly Cu doping effects on LiFeAs superconductors
• Surface transport properties of Fe-based superconductors: The influence of degradation and inhomogeneity
• Direct spectroscopic evidence for completely filled Cu $3d$ shell in BaCu${}_2$As${}_2$ and $\alpha$-BaCu${}_2$Sb${}_2$
• Enhanced low-energy magnetic excitations via suppression of the itinerancy in Fe0.98-zCuzTe0.5Se0.5
• Hund's metal crossover and superconductivity in the 111 family of iron-based superconductors
• Ambipolar suppression of superconductivity by ionic gating in optimally-doped BaFe2(As,P)2 ultrathin films
• Localization and Orbital Selectivity in Iron-Based Superconductors with Cu Substitution
• Impurity effect and suppression to superconductivity in Na(Fe${}_{0.97-x}$Co${}_{0.03}$T${}_x$)As (T=Cu, Mn)
• The electronic structure of Co-substituted $\text{Fe}\text{Se}$ superconductor probed by soft X-ray spectroscopy and density functional theory
• Electronic structure of CeCo${}_{1-x}$Fe${}_x$Ge${}_3$ studied by X-ray photoelectron spectroscopy and first-principles calculations
• Observation of charge accumulation and onsite Coulomb repulsion at transition metal impurities in the iron pnictides
• 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
• Orbital-selective Mott phase of Cu-substituted iron-based Superconductors
• Electronic Structure of $\text{Fe}{\text{Se}}_{1-x}{\text{Te}}_x$ Studied by X-ray Spectroscopy and Density Functional Theory