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Two-particle self-consistent approach for broken symmetry phases
by Lorenzo Del Re
This is not the latest submitted version.
Submission summary
Authors (as registered SciPost users): | Lorenzo Del Re |
Submission information | |
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Preprint Link: | scipost_202407_00001v1 (pdf) |
Date submitted: | 2024-07-01 10:23 |
Submitted by: | Del Re, Lorenzo |
Submitted to: | SciPost Physics |
Ontological classification | |
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Academic field: | Physics |
Specialties: |
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Approaches: | Theoretical, Computational |
Abstract
Spontaneous symmetry breaking of interacting fermion systems constitutes a major challenge for many-body theory due to the proliferation of new independent scattering channels once absent or degenerate in the symmetric phase. One example is given by the ferro/antiferromagnetic broken symmetry phase (BSP) of the Hubbard model, where vertices in the spin-transverse and spin-longitudinal channels become independent with a consequent increase in the computational power for their calculation. Here we generalize the formalism of the non-perturbative Two-Particle-Self-Consistent method (TPSC) to treat broken SU(2) magnetic phases of the Hubbard model, providing with a efficient yet reliable method. We show that in the BSP, the sum-rule enforcement of susceptibilities must be accompanied by a modified gap equation resulting in a renormalisation of the order parameter, vertex corrections and the preservation of the gap-less feature of the Goldstone modes. We then apply the theory to the antiferromagnetic phase of the Hubbard model in the cubic lattice at half-filling. We compare our results of double occupancies and staggered magnetisation to the ones obtained using Diagrammatic Monte Carlo showing excellent quantitative agreement. We demonstrate how vertex corrections play a central role in lowering the Higgs resonance with respect to the quasi-particle excitation gap in the spin-longitudinal susceptibility, yielding a well visible Higgs-mode.
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
Current status:
Reports on this Submission
Strengths
Interesting method development.
Weaknesses
The manuscript is clearly addressed to a specialist audience. This is also reflected by a selective choice of references.
Report
The present work develops a two-particle self-consistent (TPSC) approach for broken symmetry phases and applies it to the three-dimensional Hubbard model. A benchmark against the Quantum Monte Carlo (QMC) data of Ref. [13] looks promising.
However, the manuscript clearly addresses a specialist audience. For example, there is a big leap from Eq. (1) to Eq. (2), i.e., as of the second page of the text, the author is talking to specialists only. Moving parts of Appendix A into the main text may help, but I expect that the manuscript will remain very technical nevertheless.
Another point if the exponent $\beta=1/2$ mentioned at the beginning of section 4. For the three-dimensional Heisenberg ($O(3)$) universality class, it should rather be $\beta \approx 0.369$, see for example M. Campostrini et al., Phys. Rev. B 63, 214503 (2001) (also mentioned in Ref. [13]). To me, this is a strong indication that TPSC remains a mean-field theory after all, and I would find a related discussion plus references appropriate.
Furthermore, there are other (lattice) QMC investigation of the Néel transition in the half-filled three-dimensional Hubbard model. P. R. C. Kent et al., Phys. Rev. B 72, 060411(R) (2005) and S. Fuchs et al., Phys. Rev. Lett. 106, 030401 (2011) may be a good starting point to access further literature (actually, both references are also cited in Ref. [13]).
There are a number of further relatively minor points that I mention in "Requested changes".
To conclude, I believe that there is some interest in this work such that it ultimately merits publication in some form. However, my impression at least of the present manuscript is a minor technical progress that is of interest mainly to specialists. Therefore, I recommend transfer of a suitably revised version to SciPost Physics Core.
Requested changes
1- Move part of Appendix A to the beginning of section 3 in order to make the discussion more self-contained.
2- Add discussion to the result $\beta=1/2$ at the beginning of section 4 and cite relevant references, such as Phys. Rev. B 63, 214503 (2001) .
3- Mention further investigations of the half-filled three-dimensional Hubbard model such as P. R. C. Kent et al., Phys. Rev. B 72, 060411(R) (2005) and S. Fuchs et al., Phys. Rev. Lett. 106, 030401 (2011) and compare, e.g., the Néel temperature $T_N$ with these.
4- I liked the last three sentences of the Introduction (section 1) and hope that I have passed the test.
5- I believe that many equations would fit on one line, which would render the manuscript more readable. Examples: Eqs. (4), (10), (16), (18), (19), (21), (28), (37), (40), and (42). Same for a reduction of Eqs. (29) and (41) from three to two lines.
6- Between Eqs. (5) and (6) there is an abbreviation "BSE" that has not been introduced.
7- Appendix C is quite short such that the cross-references generate unnecessary overhead. Why not move the content of the appendix to the appropriate place in section 4?
8- In panels (c) and (d) of Fig. 3, clarity would be improved of the labels "TPSC" and "RPA" had the same colors as the corresponding lines.
9- I can guess what the bar means, e.g., in the $\delta_{a\bar{b}}$ below Eq. (17), but I believe that an explanation would be helpful.
10- If the meaning of the bar in the $\overline{y}$ in Eq. (18) and below was specified, I have missed this description.
11- Below Eq. (41), there is a reference to "The last equation", but Eq. (41) actually is not an equation.
12- Some preprint references are actually published. Maybe some appeared only after submission of the manuscript, but I still recommend an update. Specifically:
[13] is published in Phys. Rev. Lett. 132, 246505 (2024).
[19] is published in Phys. Rev. B 109, 045155 (2024).
[28] is published in Phys. Rev. B 108, 075144 (2023).
[34] is published in Phys. Rev. B 109, 075143 (2024).
13- The URLs in Refs. [29,30] are redundant and could be omitted.
14-There are issues with the English text, such as:
a) The manuscript mixes British and American English. For example, there are occurrences of "magnetisation" (British English) and "magnetization" (American English). I recommend that the author settles on one version and runs the manuscript through an appropriate spellchecker.
b) There are several instances of "as following" which in my opinion should read "as follows".
c) There is a duplicate "for for" in the caption of Fig. 3.
Overall, I believe that the manuscript would benefit from careful proofreading, preferably also from somebody else than the author, and ideally a native English speaker.
Recommendation
Accept in alternative Journal (see Report)
Author: Lorenzo Del Re on 2024-09-11 [id 4763]
(in reply to Report 1 on 2024-08-11)We have attached a detailed response to the referee’s comments in PDF format, along with a diff file that highlights the changes between the previous and revised versions of the manuscript.
Attachment:
reply_and_diff_oCTE1bl.pdf