SciPost Submission Page
Hole doping and electronic correlations in Cr substituted BaFe$_{2}$As$_{2}$
by Marli dos Reis Cantarino, Kevin R. Pakuszewski, Bjoern Salzmann, Pedro H. A. Moya, Wagner R. da Silva Neto, Gabriel S. Freitas, Pascoal G. Pagliuso, Cris Adriano, Walber H. Brito, Fernando A. Garcia
Submission summary
| Authors (as registered SciPost users): | Marli dos Reis Cantarino |
| Submission information | |
|---|---|
| Preprint Link: | scipost_202405_00013v3 (pdf) |
| Date accepted: | 2024-10-29 |
| Date submitted: | 2024-10-17 10:44 |
| Submitted by: | dos Reis Cantarino, Marli |
| Submitted to: | SciPost Physics |
| Ontological classification | |
|---|---|
| Academic field: | Physics |
| Specialties: |
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| Approaches: | Theoretical, Experimental, Computational |
Abstract
For a significant composition range, the suppression of the spin density wave transition temperature ($T_{\text{SDW}}$) in Cr- and Mn-substituted BaFe$_{2}$As$_{2}$ (CrBFA and MnBFA, respectively) coincides as a function of Cr/Mn content, despite the distinct electronic effects of these substitutions. Additionally, for any Cr/Mn content superconductivity (SC) is absent and this topic is particularly less explored in the case of CrBFA. In this work, we employ angle-resolved photoemission spectroscopy (ARPES) and combined density functional theory plus dynamical mean field theory (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). Moreover, analysis of the ARPES spectra of the bands with main $d_{yz}$-orbital character reveals a fractional scaling of the imaginary part of self-energy as a function of the binding energy, a signature property of Hund's correlations. Our DFT+DMFT calculations support these experimental findings. We conclude that CrBFA is a correlated electron system for which the changes in the FS as a function of Cr are unrelated to the suppression of $T_{\text{SDW}}$. In addition, we suggest that the absence of SC is primarily due to the competition between Cr local moments and the Fe-derived itinerant spin fluctuations.
Author indications on fulfilling journal expectations
- Provide a novel and synergetic link between different research areas.
- Open a new pathway in an existing or a new research direction, with clear potential for multi-pronged follow-up work
- Detail a groundbreaking theoretical/experimental/computational discovery
- Present a breakthrough on a previously-identified and long-standing research stumbling block
List of changes
Abstract
The abstract was changed. In particular, we now motivate the paper primarily by the behavior of Tsdw, which is directly connected to our data (as suggested by the referees in the previous round). We also emphasize that the DFT+DMFT results support the fractional scaling of the self-energy imaginary part.
Discussion
About the topic of the bands forming hole pockets, selection rules and band main orbital character assignment:
- On page 4, a new paragraph was added and the last paragraph was revised
- On page 5, the first two paragraphs were revised.
About the topic of the spectral analysis:
- On page 8, all four paragraphs introducing/discussing this topic were revised.
Other changes:
- On pages 9/10 we reworded the discussion about the phase diagram for clarity and conciseness (last paragraph before conclusion).
Current status:
Editorial decision:
For Journal SciPost Physics: Publish
(status: Editorial decision fixed and (if required) accepted by authors)