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_00013v2 (pdf) |
| Date submitted: | 2024-08-26 15:20 |
| Submitted by: | dos Reis Cantarino, Marli |
| Submitted to: | SciPost Physics |
| Ontological classification | |
|---|---|
| Academic field: | Physics |
| Specialties: |
|
| Approaches: | Theoretical, Experimental, Computational |
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.
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
Figures
Fig. 1: We removed panel (e) from this figure, moving the panel to the new Fig. 05 in Appendix A. The caption was changed accordingly. The range of the binding energy was slightly modified to allow a better visualization of the bands, the fitted band points are plotted smaller for clarity. One band on the GammaM-LH in panel (c) was changed from blue to green. The discussion was updated accordingly.
Fig. 4: We removed panels (a) and (b), moving them to the new Fig. 05 in Appendix A. The caption was changed accordingly.
NEW Fig. 05: This figure includes all the removed panels from Figs. 1 and 4, along with the discussion moved from the main text to the appendix
Abstract
The abstract was changed to make it clear that only the spectral features related to the dyz band were quantitatively experimentally probed. The introduction/conclusion was updated accordingly, softening the mention of correlation effects.
We softened the claim about SC suppression in the abstract.
Discussion
We added a new paragraph on page 9 to address the mass renormalization from theory and experiments.
The discussion on pages 4-5, regarding the band assignment for the 8.5%Cr sample, was changed to explain better the changes introduced by doping and their orbital assignment.
We also improved the description of the number of observed pockets, with a focus on the 8.5%Cr sample.
Conclusion
We modified the conclusions to soften our remarks and focus on the extent of our experimental results. We remove the following sentence:
“It is thus suggested that low-energy effective models are not adequate to understand the evolution of magnetism for these substitutions.”
And we changed the final paragraph.
Appendix
A new appendix section entitled “Note on the theoretical calculations” was added, addressing the more technical concerns in detail without impairing the manuscript's main points and readability. All the discussion related to the dz² band and the different theory approximations to account for the doping were moved to this new section.
Current status:
Reports on this Submission
Report
I find that the changes in Fig. 1 and Fig. 4 simplify a bit the reading of the paper and appreciate the change in the abstract about dyz band and orbital selectivity. Otherwise, there are relatively minor changes to the manuscript, the experimental hole bands still cannot be very clearly seen and the discussion of MDC linewidths does not convince me.
However, I find that these are interesting and stimulating findings, worth publishing in SciPost.
Recommendation
Publish (meets expectations and criteria for this Journal)
Report 1 by Anna Galler on 2024-9-9 (Invited Report)
Report
The authors have carefully addressed my previous comments, and further improved the manuscript. I think the manuscript is now ready for publication in SciPost Physics.
Recommendation
Publish (meets expectations and criteria for this Journal)