Hole doping and electronic correlations in Cr-substituted BaFe${}_2$As${}_2$

Abstract

Superconductivity (SC) is absent in Cr-substituted BaFe${}_2$As${}_2$ (CrBFA), a well-established but poorly understood topic. Additionally, the suppression of the spin density wave transition temperature ($T_{\text{SDW}}$) in CrBFA and Mn-substituted BaFe${}_2$As${}_2$ (MnBFA) coincides as a function of Cr/Mn content, despite the distinct electronic effects of these substitutions. In this work, we employ angle-resolved photoemission spectroscopy (ARPES) and combined density functional theory plus dynamical mean field theory calculations (DFT+DMFT) to address the evolution of the Fermi surface (FS) and electronic correlations in CrBFA. Our findings reveal that incorporating Cr leads to an effective hole doping of the states near the FS, which is well described within the virtual crystal approximation (VCA). We analyzed the electronic band spectra with main $d_{yz}$-orbital character and found a fractional scaling of the imaginary part of self-energy as a function of the binding energy, a signature property of Hund's correlations. We conclude that CrBFA is a correlated electron system and the changes in the FS as a function of Cr are unrelated to the suppression of $T_{\text{SDW}}$. We suggest that the absence of SC is primarily due to the competition between Cr local moments and the Fe-derived itinerant spin fluctuations.

18 pages, 5 figures Submission to SciPost Physics

References in corpus (33)

• 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
• Superconductivity up to 37 K in (A1-xSrx)Fe2As2 with A=K and Cs
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Determination of the phase diagram of the electron doped superconductor Ba(Fe${}_{1-x}$Co${}_x$)${}_2$As${}_2$
• Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
• Iron-Based Superconductors: current status of materials and pairing mechanism
• Superconductivity up to 30 K in the vicinity of quantum critical point in BaFe${}_2$(As${}_{1-x}$P${}_x$)${}_2$
• Ironing out the details of unconventional superconductivity
• Superconductivity induced by Ni doping in BaFe${}_2$As${}_2$
• Magnetism and Charge Dynamics in Iron Pnictides
• Spin fluctuations and superconductivity in a 3D tight-binding model for BaFe2As2
• Low-energy microscopic models for iron-based superconductors: a review
• Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations
• Competing magnetic ground states in non-superconducting Ba(Fe1-xCrx)2As2
• Suppression of superconductivity by Neel-type magnetic fluctuations in the iron pnictides
• Competition between stripe and checkerboard magnetic instabilities in Mn-doped BaFe2As2
• Unconventional disorder effects in correlated superconductors
• Enhancing magnetic stripe order in iron pnictides by RKKY exchange interactions
• Detailed band structure of twinned and detwinned BaFe${}_2$As${}_2$ studied with angle-resolved photoemission spectroscopy
• Differentiating Hund from Mott physics in a three-band Hubbard-Hund model: Temperature dependence of spectral, transport, and thermodynamic properties
• Effects of Vanadium doping on BaFe2As2
• Doping evolution of antiferromagnetism and transport properties in the non-superconducting BaFe2-2xNixCrxAs2
• Anisotropic magnetic excitations and incipient Néel order in Ba(Fe${}_{1-x}$Mn${}_x$)${}_2$As${}_2$
• Superconductivity and phase diagrams of CaK(Fe${}_{1-x}$Mn${}_x$)${}_4$As${}_4$ single crystals
• Orbital localization and the role of the Fe and As $4p$ orbitals in BaFe${}_2$As${}_2$ probed by XANES
• Superconductivity and magnetic and transport properties of single-crystalline CaK(Fe${}_{1-x}$Cr${}_x$)${}_4$As${}_4$
• Carrier localization due to local magnetic order induced by magnetic impurities in Ba(Fe${}_{1-x}$TM${}_x$)${}_2$As${}_2$ (TM = Mn and Cr) as seen via optical spectra
• Emergent spin-glass state in the doped Hund's metal CsFe2As2
• Incoherent electronic band states in Mn-substituted BaFe${}_2$As${}_2$
• Nematic fluctuations in the non-superconducting iron pnictide BaFe${}_{1.9-x}$Ni${}_{0.1}$Cr${}_x$As${}_2$
• Paradigm for finding d-electron heavy fermions: the case of Cr-doped CsFe${}_2$As${}_2$

Cited by in corpus (2)

• Crystal growth and characterization of a hole-doped iron-based superconductor Ba(Fe${}_{0.875}$Ti${}_{0.125}$)${}_2$As${}_2$
• Doping-dependent orbital magnetism in Chromium pnictides