pith. sign in

arxiv: 2509.20337 · v2 · submitted 2025-09-24 · ❄️ cond-mat.str-el

Spin-polaron fingerprints in the optical conductivity of iridates

Pith reviewed 2026-05-18 14:25 UTC · model grok-4.3

classification ❄️ cond-mat.str-el
keywords spin-polaronoptical conductivityiridatesdynamical mean-field theoryself-consistent Born approximationantiferromagnetismstrongly correlated electrons
0
0 comments X

The pith

The double-peak structure in iridate optical conductivity comes from spin-polaron quasiparticles rather than Hubbard subbands.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The paper proposes that the double peak observed in optical absorption and conductivity of 5d5 iridates such as Ba2IrO4 and Sr2IrO4 arises primarily from spin-polaron quasiparticles. Calculations using dynamical mean-field theory and the self-consistent Born approximation reproduce experimental features seen in angle-resolved photoemission spectroscopy and transport measurements. This assignment holds in the low-doped regime for Sr2IrO4 and points to similar optical signatures across the broader family of 5d5 iridates and other strongly correlated antiferromagnets.

Core claim

The first peak in the double-peak optical structure has dominant spin-polaron character. Spin-polarons are quasiparticles formed when a charge carrier is dressed by antiferromagnetic spin excitations, and their spectral weight and dispersion, computed within DMFT and SCBA, account for the observed low-energy optical response in these materials.

What carries the argument

Spin-polaron quasiparticles, modeled as holes or electrons coupled to spin fluctuations in an antiferromagnetic background and calculated via dynamical mean-field theory combined with the self-consistent Born approximation.

If this is right

  • The same spin-polaron fingerprints should appear throughout the wider class of 5d5 iridates.
  • The scenario remains valid into the low-doped regime of Sr2IrO4.
  • Analogous optical features are expected in other strongly correlated antiferromagnetic systems such as cuprates.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • If spin-polarons control the low-energy response, controlled doping or applied magnetic fields could shift peak positions according to changes in the spin-wave spectrum.
  • This view suggests that multi-orbital or spin-fluctuation models may be more appropriate than pure single-band Hubbard pictures for describing the optical response of iridates.
  • Targeted optical measurements on other 5d transition-metal compounds with antiferromagnetic order could test how general the spin-polaron mechanism is.

Load-bearing premise

The double-peak optical structure is carried primarily by spin-polaron quasiparticles whose spectral weight and dispersion are accurately captured by DMFT and SCBA without major contributions from additional orbital or lattice degrees of freedom.

What would settle it

High-resolution optical conductivity data on a 5d5 iridate or related antiferromagnet that lacks the predicted spin-polaron dispersion or shows the same double peak even after suppression of antiferromagnetic order would falsify the assignment.

Figures

Figures reproduced from arXiv: 2509.20337 by Benjamin Lenz, Cyril Martins, Francesco Cassol, L\'eo Gaspard, Michele Casula.

Figure 1
Figure 1. Figure 1: FIG. 1. Schematic scenarios for low-energy optical trans [PITH_FULL_IMAGE:figures/full_fig_p001_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2. Optical transport quantities for Ba [PITH_FULL_IMAGE:figures/full_fig_p002_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: FIG. 3. Electronic structure of Ba [PITH_FULL_IMAGE:figures/full_fig_p003_3.png] view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4. Relation between [PITH_FULL_IMAGE:figures/full_fig_p004_4.png] view at source ↗
Figure 5
Figure 5. Figure 5: FIG. 5. Optical conductivity of electron doped Sr [PITH_FULL_IMAGE:figures/full_fig_p005_5.png] view at source ↗
Figure 6
Figure 6. Figure 6: FIG. 6. Optical conductivity of Ba [PITH_FULL_IMAGE:figures/full_fig_p010_6.png] view at source ↗
Figure 7
Figure 7. Figure 7: FIG. 7. Fermi velocities along the [PITH_FULL_IMAGE:figures/full_fig_p011_7.png] view at source ↗
Figure 9
Figure 9. Figure 9: FIG. 9. DFT band structure and minimal tight-binding model for Ba [PITH_FULL_IMAGE:figures/full_fig_p013_9.png] view at source ↗
Figure 10
Figure 10. Figure 10: FIG. 10. Models and results of SCBA calculations. Minimal [PITH_FULL_IMAGE:figures/full_fig_p015_10.png] view at source ↗
read the original abstract

As a consequence of their spin-orbit entangled ground state, many $5d^{5}$ iridate materials display a peculiar double peak structure in optical transport quantities, such as absorption and conductivity. Their common interpretation is based on the presence of Hubbard subbands in the half-filled $j_{\mathrm{eff}}=1/2$ manifold. Herein, we challenge this picture, proposing a scenario based on the presence of spin-polaron (SP) quasiparticles, and assigning a dominant SP character to the first peak. We illustrate it by taking the materials Ba$_2$IrO$_4$ and Sr$_2$IrO$_4$ as paradigmatic examples, which we investigate within the dynamical mean-field theory and the self-consistent Born approximation. Both theories reproduce nontrivial features revealed by angle-resolved photoemission spectroscopy and optical transport measurements, supporting our interpretation. In the case of Sr$_2$IrO$_4$, we show how the SP scenario survives in the low-doped regime. Similar optical transport fingerprints are expected to be found in the wider class of $5d^5$ iridates and more generally in strongly correlated antiferromagnetic regimes, such as those found in cuprates.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 2 minor

Summary. The manuscript challenges the conventional Hubbard-subband interpretation of the double-peak structure observed in the optical conductivity of 5d^5 iridates. It proposes that spin-polaron quasiparticles dominate the lower-energy peak in Ba2IrO4 and Sr2IrO4. The authors employ dynamical mean-field theory (DMFT) and the self-consistent Born approximation (SCBA) to reproduce key ARPES dispersion features and the double-peak optical conductivity, and demonstrate that the spin-polaron scenario persists in the low-doping regime of Sr2IrO4, with suggested relevance to other strongly correlated antiferromagnets such as cuprates.

Significance. If the spin-polaron assignment can be placed on firmer quantitative footing, the work would provide a useful alternative framework for interpreting optical spectra in spin-orbit entangled iridates and related antiferromagnetic Mott insulators. The use of two complementary methods (DMFT and SCBA) to recover nontrivial ARPES and conductivity features is a positive aspect, as is the extension to doped Sr2IrO4. The absence of direct spectral-weight decomposition, however, limits the strength of the central reinterpretation relative to standard j_eff=1/2 Hubbard-band contributions.

major comments (2)
  1. [Optical conductivity results] Section on optical conductivity (near the discussion of DMFT/SCBA results for Ba2IrO4): the assignment of dominant spin-polaron character to the first peak rests on qualitative agreement between computed spectra and experiment, but the manuscript does not provide a direct decomposition (e.g., projection onto polaron eigenstates or comparison against an undressed j_eff=1/2 Hubbard model on the same lattice) that would quantify the relative weight of spin-polaron versus conventional lower-Hubbard-band contributions.
  2. [Doped Sr2IrO4 analysis] Section on the low-doped regime of Sr2IrO4: the claim that the spin-polaron scenario survives upon light doping is asserted on the basis of continued reproduction of spectral features, yet no quantitative metric (such as integrated spectral weight ratios or sensitivity analysis to additional orbital/lattice degrees of freedom) is given to exclude alternative mechanisms that could produce similar shifts in the double-peak structure.
minor comments (2)
  1. [Abstract and Introduction] The abstract and introduction would benefit from a brief statement of the specific parameter values or interaction strengths used in the DMFT and SCBA calculations to allow readers to assess sensitivity.
  2. [Figures] Figure captions for the optical conductivity plots should explicitly note the broadening or smearing parameters applied to the theoretical curves when comparing to experimental data.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for the careful reading of our manuscript and for the constructive comments, which help clarify the presentation of our results. We address each major comment below and have revised the manuscript to incorporate additional supporting analysis where feasible.

read point-by-point responses
  1. Referee: [Optical conductivity results] Section on optical conductivity (near the discussion of DMFT/SCBA results for Ba2IrO4): the assignment of dominant spin-polaron character to the first peak rests on qualitative agreement between computed spectra and experiment, but the manuscript does not provide a direct decomposition (e.g., projection onto polaron eigenstates or comparison against an undressed j_eff=1/2 Hubbard model on the same lattice) that would quantify the relative weight of spin-polaron versus conventional lower-Hubbard-band contributions.

    Authors: We acknowledge that a direct quantitative decomposition of spectral weight would provide additional support for the spin-polaron assignment. The SCBA framework is built explicitly on the spin-polaron quasiparticle picture through self-consistent hole-magnon coupling, with optical conductivity computed from the resulting dressed Green's function; the lower peak position and intensity are thus directly tied to polaron formation. In DMFT, the peak emerges only with full dynamical spin fluctuations. To address the concern, the revised manuscript includes a supplementary comparison of the optical conductivity obtained from the full model versus a static mean-field approximation that suppresses magnon dynamics. This shows a clear suppression of the lower-energy peak intensity, providing a quantitative indication of the dominant spin-polaron contribution without requiring a full eigenstate projection, which would demand substantial additional methodological development. revision: yes

  2. Referee: [Doped Sr2IrO4 analysis] Section on the low-doped regime of Sr2IrO4: the claim that the spin-polaron scenario survives upon light doping is asserted on the basis of continued reproduction of spectral features, yet no quantitative metric (such as integrated spectral weight ratios or sensitivity analysis to additional orbital/lattice degrees of freedom) is given to exclude alternative mechanisms that could produce similar shifts in the double-peak structure.

    Authors: We agree that explicit quantitative metrics strengthen the doped-regime claims. The revised manuscript now reports the ratio of integrated spectral weights of the lower to upper peak as a function of hole doping, demonstrating that the lower peak retains substantial weight in the low-doping regime where antiferromagnetic order persists. We further discuss robustness by noting that the DMFT calculations already incorporate the full t2g orbital manifold and that the double-peak structure remains stable under moderate variations in hopping parameters and interaction strengths, helping to distinguish the spin-polaron mechanism from alternatives driven purely by orbital or lattice changes upon doping. revision: yes

Circularity Check

0 steps flagged

No significant circularity; derivation relies on standard DMFT/SCBA applied to independent experimental benchmarks

full rationale

The paper applies established dynamical mean-field theory and self-consistent Born approximation to model spin-polaron quasiparticles in the j_eff=1/2 manifold of Ba2IrO4 and Sr2IrO4. It reports that these calculations reproduce ARPES dispersions and the double-peak optical conductivity structure seen in measurements, then assigns dominant spin-polaron character to the lower peak as an interpretive alternative to the conventional Hubbard-subband picture. No quoted equation or step shows a prediction reducing to a fitted parameter by construction, a self-definitional loop, or a load-bearing self-citation whose validity is assumed rather than independently verified. The methods are parameter-free in their core formulation relative to the target spectra, and the comparison is to external data, rendering the chain self-contained against benchmarks.

Axiom & Free-Parameter Ledger

0 free parameters · 1 axioms · 1 invented entities

The central claim rests on the validity of DMFT and SCBA for capturing spin-polaron formation in the jeff=1/2 manifold, plus the assumption that no other degrees of freedom produce competing spectral features at the same energy. No explicit free parameters are named in the abstract, but effective interaction strengths and hopping parameters are implicitly present in any DMFT treatment.

axioms (1)
  • domain assumption Dynamical mean-field theory and self-consistent Born approximation sufficiently capture the low-energy physics of spin-polaron formation in these iridates.
    Invoked when the authors state that both theories reproduce the experimental features.
invented entities (1)
  • spin-polaron quasiparticles no independent evidence
    purpose: To carry the spectral weight of the first optical conductivity peak instead of Hubbard subbands.
    The paper introduces this assignment as the dominant character of the lower-energy feature.

pith-pipeline@v0.9.0 · 5751 in / 1502 out tokens · 39052 ms · 2026-05-18T14:25:54.947165+00:00 · methodology

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.

Lean theorems connected to this paper

Citations machine-checked in the Pith Canon. Every link opens the source theorem in the public Lean library.

  • IndisputableMonolith/Cost/FunctionalEquation washburn_uniqueness_aczel unclear
    ?
    unclear

    Relation between the paper passage and the cited Recognition theorem.

    We challenge this picture, proposing a scenario based on the presence of spin-polaron (SP) quasiparticles, and assigning a dominant SP character to the first peak... Both theories reproduce nontrivial features revealed by angle-resolved photoemission spectroscopy and optical transport measurements

What do these tags mean?
matches
The paper's claim is directly supported by a theorem in the formal canon.
supports
The theorem supports part of the paper's argument, but the paper may add assumptions or extra steps.
extends
The paper goes beyond the formal theorem; the theorem is a base layer rather than the whole result.
uses
The paper appears to rely on the theorem as machinery.
contradicts
The paper's claim conflicts with a theorem or certificate in the canon.
unclear
Pith found a possible connection, but the passage is too broad, indirect, or ambiguous to say the theorem truly supports the claim.

Reference graph

Works this paper leans on

102 extracted references · 102 canonical work pages

  1. [1]

    In the exper- imental curves,δrepresents the amount of La substitution

    for low (a) and moderate (b) doping levels. In the exper- imental curves,δrepresents the amount of La substitution. Momentum resolved spectral function at low (c) and interme- diate (d) doping levels. To favour a clear representation, a small broadeningη= 0.01has been set inA k(ω). For elec- tron dopingx= 0.02the system is still in the AFM phase displayin...

  2. [2]

    Dressel and G

    M. Dressel and G. Grüner,Electrodynamics of Solids: Optical Properties of Electrons in Matter(Cambridge University Press, 2002)

  3. [3]

    H. J. A. Molegraaf, C. Presura, D. van der Marel, P. H. Kes, and M. Li, Superconductivity-Induced Transfer of In-Plane Spectral Weight in Bi2Sr2CaCu2O8+δ, Science 295, 2239 (2002)

  4. [4]

    Katsufuji, Y

    T. Katsufuji, Y. Okimoto, T. Arima, Y. Tokura, and J. B. Torrance, Optical spectroscopy of the metal- insulator transition inNdNiO3, Phys. Rev. B51, 4830 (1995)

  5. [5]

    A. V. Puchkov, D. N. Basov, and T. Timusk, The pseu- dogapstateinhigh-superconductors: aninfraredstudy, Journal of Physics: Condensed Matter8, 10049 (1996)

  6. [6]

    Gervais, Optical conductivity of oxides, Materials Science and Engineering: R: Reports39, 29 (2002)

    F. Gervais, Optical conductivity of oxides, Materials Science and Engineering: R: Reports39, 29 (2002)

  7. [7]

    Millis, Optical conductivity and correlated electron physics, Strong interactions in low dimensions , 195 (2004)

    A. Millis, Optical conductivity and correlated electron physics, Strong interactions in low dimensions , 195 (2004)

  8. [8]

    D. N. Basov, R. D. Averitt, D. van der Marel, M. Dres- sel, and K. Haule, Electrodynamics of correlated elec- tron materials, Rev. Mod. Phys.83, 471 (2011)

  9. [9]

    Charnukha, Optical conductivity of iron-based su- perconductors, Journal of Physics: Condensed Matter 26, 253203 (2014)

    A. Charnukha, Optical conductivity of iron-based su- perconductors, Journal of Physics: Condensed Matter 26, 253203 (2014)

  10. [10]

    Hedin, New Method for Calculating the One-Particle Green’s Function with Application to the Electron-Gas 6 Problem, Phys

    L. Hedin, New Method for Calculating the One-Particle Green’s Function with Application to the Electron-Gas 6 Problem, Phys. Rev.139, A796 (1965)

  11. [11]

    Georges, G

    A. Georges, G. Kotliar, W. Krauth, and M. J. Rozen- berg, Dynamical mean-field theory of strongly corre- lated fermion systems and the limit of infinite dimen- sions, Rev. Mod. Phys.68, 13 (1996)

  12. [12]

    J. G. Rau, E. K.-H. Lee, and H.-Y. Kee, Spin-orbit physics giving rise to novel phases in correlated systems: Iridates and related materials, Annual Review of Con- densed Matter Physics7, 195 (2016)

  13. [13]

    Bertinshaw, Y

    J. Bertinshaw, Y. Kim, G. Khaliullin, and B. Kim, Square lattice iridates, Annual Review of Condensed Matter Physics10, 315 (2019)

  14. [14]

    M. K. Crawford, M. A. Subramanian, R. L. Harlow, J. A. Fernandez-Baca, Z. R. Wang, and D. C. Johnston, Structural and magnetic studies ofSr2IrO4, Phys. Rev. B49, 9198 (1994)

  15. [15]

    S. J. Moon, M. W. Kim, K. W. Kim, Y. S. Lee, J.- Y. Kim, J.-H. Park, B. J. Kim, S.-J. Oh, S. Nakat- suji, Y. Maeno, I. Nagai, S. I. Ikeda, G. Cao, and T. W. Noh, Electronic structures of layered perovskite Sr2MO4 (M= Ru, Rh, and Ir), Phys. Rev. B74, 113104 (2006)

  16. [16]

    B. J. Kim, H. Jin, S. J. Moon, J.-Y. Kim, B.-G. Park, C. S. Leem, J. Yu, T. W. Noh, C. Kim, S.-J. Oh, J.-H. Park, V. Durairaj, G. Cao, and E. Rotenberg, NovelJ eff = 1/2Mott State Induced by Relativistic Spin-Orbit Coupling in Ba2IrO4, Phys. Rev. Lett.101, 076402 (2008)

  17. [17]

    J. Kim, H. Ohsumi, T. Komesu, S. Sakai, T. Morita, H. Takagi, and T. Arima, Phase-sensitive observation of a spin–orbital Mott state in Sr2IrO4, Science323, 1239 (2009)

  18. [18]

    J. Kim, D. Casa, M. H. Upton, T. Gog, Y.-J. Kim, J. F. Mitchell, M. Van Veenendaal, M. Daghofer, J. Van Den Brink, G. Khaliullin, and B. J. Kim, Magnetic Ex- citation Spectra of Sr2IrO4 Probed by Resonant Inelas- tic X-Ray Scattering: Establishing Links to Cuprate Superconductors, Physical Review Letters108, 177003 (2012)

  19. [19]

    J. Kim, M. Daghofer, A. H. Said, T. Gog, J. van den Brink, G. Khaliullin, and B. J. Kim, Excitonic quasi- particles in a spin-orbit Mott insulator, Nature Com- munications5, 4453 (2014)

  20. [20]

    Brouet, J

    V. Brouet, J. Mansart, L. Perfetti, C. Piovera, I. Vobornik, P. Le Fèvre, F. m. c. Bertran, S. C. Riggs, M.C.Shapiro, P.Giraldo-Gallo,andI.R.Fisher,Trans- fer of spectral weight across the gap ofSr2IrO4 induced by La doping, Phys. Rev. B92, 081117 (2015)

  21. [21]

    J. Dai, E. Calleja, G. Cao, and K. McElroy, Local den- sity of states study of a spin-orbit-coupling induced MottinsulatorSr 2IrO4,Phys.Rev.B90,041102(2014)

  22. [22]

    B. Kim, B. H. Kim, K. Kim, and B. I. Min, Substrate- tuning of correlated spin-orbit oxides revealed by opti- calconductivitycalculations,ScientificReports6,27095 (2016)

  23. [23]

    N. B. Perkins, Y. Sizyuk, and P. Wölfle, Interplay of many-body and single-particle interactions in iridates and rhodates, Phys. Rev. B89, 035143 (2014)

  24. [24]

    S. J. Moon, H. Jin, W. S. Choi, J. S. Lee, S. S. A. Seo, J. Yu, G. Cao, T. W. Noh, and Y. S. Lee, Temperature dependence of the electronic structure of theJeff= 1/2 Mott insulator Sr2IrO4 studied by optical spectroscopy studied by optical spectroscopy, Physical Review B80, 195110 (2009), publisher: American Physical Society

  25. [25]

    C.H.Sohn, M.-C.Lee, H.J.Park, K.J.Noh, H.K.Yoo, S. J. Moon, K. W. Kim, T. F. Qi, G. Cao, D.-Y. Cho, and T. W. Noh, Orbital-dependent polaron formation in the relativistic Mott insulatorSr2IrO4, Phys. Rev. B 90, 041105 (2014)

  26. [26]

    J. H. Seo, G. H. Ahn, S. J. Song, X. Chen, S. D. Wilson, andS.J.Moon,Infraredprobeofpseudogapinelectron- doped Sr2IrO4, Scientific Reports7, 10494 (2017), pub- lisher: Nature Publishing Group

  27. [27]

    Souri, B

    M. Souri, B. H. Kim, J. H. Gruenewald, J. G. Connell, J. Thompson, J. Nichols, J. Terzic, B. I. Min, G. Cao, J. W. Brill, and A. Seo, Optical signatures of spin-orbit exciton in bandwidth-controlledSr2IrO4 epitaxial films via high-concentration Ca and Ba doping, Phys. Rev. B 95, 235125 (2017)

  28. [28]

    Souri, J

    M. Souri, J. H. Gruenewald, J. Terzic, J. W. Brill, G. Cao, and S. S. A. Seo, Investigations of metastable Ca2IrO4 epitaxial thin-films: systematic comparison with Sr2IrO4 and Ba2IrO4, Scientific Reports6, 25967 (2016), publisher: Nature Publishing Group

  29. [29]

    S. J. Moon, H. Jin, K. W. Kim, W. S. Choi, Y. S. Lee, J. Yu, G. Cao, A. Sumi, H. Funakubo, C. Bernhard, and T. W. Noh, Dimensionality-Controlled Insulator- Metal Transition and Correlated Metallic State in5d Transition Metal OxidesSrn+1IrnO3n+1 (n= 1, 2, and ∞), Phys. Rev. Lett.101, 226402 (2008)

  30. [30]

    D. Kim, G. Ahn, J. Schmehr, S. D. Wilson, and S. J. Moon, Effects of the on-site energy on the electronic response of Sr3(Ir1−xMnx)2O7, Scientific Reports12, 18957 (2022)

  31. [31]

    Okabe, M

    H. Okabe, M. Isobe, E. Takayama-Muromachi, A. Koda, S. Takeshita, M. Hiraishi, M. Miyazaki, R. Kadono, Y. Miyake, and J. Akimitsu, Ba 2IrO4: A Spin-Orbit Mott Insulating Quasi-Two-Dimensional Antiferromagnet, Phys. Rev. B83, 155118 (2011)

  32. [32]

    Okabe, M

    H. Okabe, M. Isobe, E. Takayama-Muromachi, A. Koda, S. Takeshita, M. Hiraishi, M. Miyazaki, R. Kadono, Y. Miyake, and J. Akimitsu, Magnetic or- dering in spin-orbit Mott insulator Ba2IrO4 probed by µSR, Journal of Physics: Conference Series400, 032071 (2012)

  33. [33]

    Isobe, H

    M. Isobe, H. Okabe, E. Takayama-Muromachi, A. Koda, S. Takeshita, M. Hiraishi, M. Miyazaki, R. Kadono, Y. Miyake, and J. Akimitsu, Spin-Orbit Mott State in the Novel Quasi-2D Antiferromagnet Ba2IrO4, Journal of Physics: Conference Series400, 032028 (2012)

  34. [34]

    Moser, L

    S. Moser, L. Moreschini, A. Ebrahimi, B. D. Piazza, M. Isobe, H. Okabe, J. Akimitsu, V. V. Mazurenko, K. S. Kim, A. Bostwick, E. Rotenberg, J. Chang, H. M. Rønnow, and M. Grioni, The electronic structure of the high-symmetryperovskiteiridateBa 2IrO4,NewJournal of Physics16, 013008 (2014)

  35. [35]

    Y. S. Hou, H. J. Xiang, and X. G. Gong, Unveiling the origin of the basal-plane antiferromagnetism in the spin–orbit Mott insulator Ba2IrO4: a density functional and model Hamiltonian study, New Journal of Physics 18, 043007 (2016)

  36. [36]

    V. M. Katukuri, V. Yushankhai, L. Siurakshina, J. van den Brink, L. Hozoi, and I. Rousochatzakis, Mechanism of Basal-Plane Antiferromagnetism in the Spin-Orbit Driven Iridate Ba2IrO4, Phys Rev X4, 021051 (2014)

  37. [37]

    Y. Wang, K. Wohlfeld, B. Moritz, C. J. Jia, M. van Veenendaal, K. Wu, C.-C. Chen, and T. P. Devereaux, 7 Origin of strong dispersion in Hubbard insulators, Phys. Rev. B92, 075119 (2015)

  38. [38]

    Bacq-Labreuil, C

    B. Bacq-Labreuil, C. Fawaz, Y. Okazaki, Y. Obata, H. Cercellier, P. Le Fèvre, F. m. c. Bertran, D.Santos-Cottin, H.Yamamoto, I.Yamada, M.Azuma, K. Horiba, H. Kumigashira, M. d’Astuto, S. Bier- mann, and B. Lenz, Universal Waterfall Feature in Cuprate Superconductors: Evidence of a Momentum- Driven Crossover, Phys. Rev. Lett.134, 016502 (2025)

  39. [39]

    de la Torre, S

    A. de la Torre, S. McKeown Walker, F. Y. Bruno, S. Riccó, Z. Wang, I. Gutierrez Lezama, G. Scheerer, G. Giriat, D. Jaccard, C. Berthod, T. K. Kim, M. Hoesch, E. C. Hunter, R. S. Perry, A. Tamai, and F. Baumberger, Collapse of the Mott Gap and Emer- gence of a Nodal Liquid in Lightly Doped Ba 2IrO4, Phys. Rev. Lett.115, 176402 (2015)

  40. [40]

    Kotliar, S

    G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, Electronic structure calculations with dynamical mean-field theory, Rev. Mod. Phys.78, 865 (2006)

  41. [41]

    Cassol, L

    F. Cassol, L. Gaspard, M. Casula, C. Martins, and B. Lenz, Rich phase diagram of the prototypical iri- date Ba2IrO4: Effective low-energy models and metal- insulator transition, Phys. Rev. B109, 155120 (2024)

  42. [42]

    Zhang and E

    G. Zhang and E. Pavarini, Magnetic superexchange cou- plings inSr 2IrO4, Phys. Rev. B104, 125116 (2021)

  43. [43]

    Georges, L

    A. Georges, L. d. Medici, and J. Mravlje, Strong Corre- lations from Hund’s Coupling, Annual Review of Con- densed Matter Physics4, 137 (2013)

  44. [44]

    Aryasetiawan, M

    F. Aryasetiawan, M. Imada, A. Georges, G. Kotliar, S. Biermann, and A. I. Lichtenstein, Frequency- dependent local interactions and low-energy effective models from electronic structure calculations, Phys. Rev. B70, 195104 (2004)

  45. [45]

    Shinaoka, M

    H. Shinaoka, M. Troyer, and P. Werner, Accuracy of downfoldingbasedontheconstrainedrandom-phaseap- proximation, Phys. Rev. B91, 245156 (2015)

  46. [46]

    Martins, M

    C. Martins, M. Aichhorn, L. Vaugier, and S. Biermann, Reduced Effective Spin-Orbital Degeneracy and Spin- Orbital Ordering in Paramagnetic Transition-Metal Ox- ides:Sr 2IrO4 versus Sr2IrO4, Phys. Rev. Lett.107, 266404 (2011)

  47. [47]

    Arita, J

    R. Arita, J. Kuneš, A. V. Kozhevnikov, A. G. Eguiluz, and M. Imada, Ab initio Studies on the Interplay be- tween Spin-Orbit Interaction and Coulomb Correlation in Sr2IrO and Ba2IrO4, Phys. Rev. Lett.108, 086403 (2012)

  48. [48]

    B. Lenz, C. Martins, and S. Biermann, Spectral func- tions of Sr2IrO4: theory versus experiment, Journal of Physics: Condensed Matter31, 293001 (2019)

  49. [49]

    G.ZhangandE.Pavarini,MultiorbitalNatureofDoped Sr2IrO4, Phys. Rev. Lett.131, 036504 (2023)

  50. [50]

    D. Choi, C. Yue, D. Azoury, Z. Porter, J. Chen, F. Petocchi, E. Baldini, B. Lv, M. Mogi, Y. Su, S. D. Wilson, M. Eckstein, P. Werner, and N. Gedik, Light-induced insulator-metal transi- tion in Sr 2IrO4 reveals the nature of the insu- lating ground state, Proceedings of the National Academy of Sciences121, e2323013121 (2024), https://www.pnas.org/doi/pdf/...

  51. [51]

    E. Gull, A. J. Millis, A. I. Lichtenstein, A. N. Rubtsov, M. Troyer, and P. Werner, Continuous-time Monte Carlomethodsforquantumimpuritymodels,Rev.Mod. Phys.83, 349 (2011)

  52. [52]

    P. Seth, I. Krivenko, M. Ferrero, and O. Parcollet, TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridisation Expansion Solver for Quantum Im- purity Problems, Computer Physics Communications 200, 274 (2016)

  53. [53]

    Parcollet, M

    O. Parcollet, M. Ferrero, T. Ayral, H. Hafermann, I. Krivenko, L. Messio, and P. Seth, TRIQS: A Toolbox for Research on Interacting Quantum Systems, Com- puter Physics Communications196, 398 (2015)

  54. [54]

    Sangiovanni, A

    G. Sangiovanni, A. Toschi, E. Koch, K. Held, M. Capone, C. Castellani, O. Gunnarsson, S.-K. Mo, J. W. Allen, H.-D. Kim, A. Sekiyama, A. Yamasaki, S. Suga, and P. Metcalf, Static versus dynamical mean- field theory of Mott antiferromagnets, Phys. Rev. B73, 205121 (2006)

  55. [55]

    Khurana, Electrical conductivity in the infinite- dimensional Hubbard model, Phys

    A. Khurana, Electrical conductivity in the infinite- dimensional Hubbard model, Phys. Rev. Lett.64, 1990 (1990)

  56. [56]

    J. M. Tomczak and S. Biermann, Optical properties of correlated materials: Generalized Peierls approach and its application to VO2, Phys. Rev. B80, 085117 (2009)

  57. [57]

    Martinez and P

    G. Martinez and P. Horsch, Spin polarons in the t-J model, Phys. Rev. B44, 317 (1991)

  58. [58]

    J. Bala, A. M. Oleś, and J. Zaanen, Spin polarons in the t-t′-J model, Phys. Rev. B52, 4597 (1995)

  59. [59]

    J. P. Clancy, H. Gretarsson, A. Lupascu, J. A. Sears, Z. Nie, M. H. Upton, J. Kim, Z. Islam, M. Uchida, D. G. Schlom, K. M. Shen, and Y.-J. Kim, Magnetic excitations in the square-lattice iridate Ba2IrO4, Phys. Rev. B107, 054423 (2023)

  60. [60]

    [13, 17, 18, 36, 37, 40, 41, 43, 44, 51, 52, 55–58, 83– 101]

    See Supplemental Material for more details on the con- struction of the effective low-energy models, the role of the Ir-eg bands, details of the calculation of the optical conductivity and absorption as well as numerical details of the DMFT and SCBA simulations, which includes Refs. [13, 17, 18, 36, 37, 40, 41, 43, 44, 51, 52, 55–58, 83– 101]

  61. [61]

    J. J. Nichols, O. B. Korneta, J. Terzic, G. Cao, J. W. Brill, and S. S. A. Seo, Epitaxial Ba2IrO4 thin-films grown on SrTiO 3 substrates by pulsed laser deposition, Appl. Phys. Lett.104, 121913 (2014)

  62. [62]

    Dasari, H

    N. Dasari, H. U. R. Strand, M. Eckstein, A. I. Licht- enstein, and E. A. Stepanov, Non-Local Correlation Ef- fects in DC and Optical Conductivity of the Hubbard Model (2025), arXiv:2507.16673 [cond-mat.str-el]

  63. [63]

    Uchida, Y

    M. Uchida, Y. F. Nie, P. D. C. King, C. H. Kim, C. J. Fennie, D. G. Schlom, and K. M. Shen, Correlated vs. conventional insulating behavior in theJeff= 1 2 vs. 3 2 bands in the layered iridate Ba2IrO4, Phys. Rev. B90, 075142 (2014)

  64. [64]

    Y. F. Nie, P. D. C. King, C. H. Kim, M. Uchida, H. I. Wei, B. D. Faeth, J.P.Ruf, J. P.C. Ruff, L. Xie, X. Pan, C. J. Fennie, D. G. Schlom, and K. M. Shen, Interplay of Spin-Orbit Interactions, Dimensionality, and Octahe- dral Rotations in Semimetallic SrIrO3, Phys. Rev. Lett. 114, 016401 (2015)

  65. [65]

    Y. Liu, L. Yu, X. Jia, J. Zhao, H. Weng, Y. Peng, C. Chen, Z. Xie, D. Mou, J. He, X. Liu, Y. Feng, H. Yi, L. Zhao, G. Liu, S. He, X. Dong, J. Zhang, Z. Xu, C. Chen, G. Cao, X. Dai, Z. Fang, and X. J. Zhou, Anomalous High-Energy Waterfall-Like Elec- tronic Structure in 5d Transition Metal Oxide Sr2IrO4 with a Strong Spin-Orbit Coupling, Scientific Reports ...

  66. [66]

    Y. Cao, Q. Wang, J. A. Waugh, T. J. Reber, H. Li, X.Zhou, S.Parham, S.-R.Park, N.C.Plumb, E.Roten- berg, A. Bostwick, J. D. Denlinger, T. Qi, M. A. Her- mele, G. Cao, and D. S. Dessau, Hallmarks of the Mott- metal crossover in the hole-doped pseudospin-1/2Mott insulator Sr2IrO4, Nature Communications7, 11367 (2016)

  67. [67]

    Y. J. Yan, M. Q. Ren, H. C. Xu, B. P. Xie, R. Tao, H. Y. Choi, N. Lee, Y. J. Choi, T. Zhang, and D. L. Feng, Electron-DopedSr 2IrO4: An Analogue of Hole-Doped Cuprate Superconductors Demonstrated by Scanning Tunneling Microscopy, Phys. Rev. X5, 041018 (2015)

  68. [68]

    Martins, B

    C. Martins, B. Lenz, L. Perfetti, V. Brouet, F. m. c. Bertran, and S. Biermann, Nonlocal Coulomb corre- lations in pure and electron-doped Sr2IrO4: Spectral functions, Fermi surface, and pseudo-gap-like spectral weight distributions from oriented cluster dynamical mean-field theory, Phys. Rev. Mater.2, 032001 (2018)

  69. [69]

    The height is cho- sen to fully cover the extent of the conventional Bril- louin zone along thekz direction

    Around each of the points in thekx−ky plane, we define infinitesimally narrow cylindrical regions with a radius of0.025×2π/a[1/Å] and a height of3.30×2π/a[1/Å], whereais the shorter Ir–Ir distance. The height is cho- sen to fully cover the extent of the conventional Bril- louin zone along thekz direction. The selectedk-points for this analysis are P1=X∗, ...

  70. [70]

    Zhang, K

    H. Zhang, K. Haule, and D. Vanderbilt, EffectiveJ=1/2 Insulating State in Ruddlesden-Popper Iridates: An LDA+DMFTStudy, Phys. Rev. Lett.111, 246402 (2013)

  71. [71]

    Pröpper, A

    D. Pröpper, A. N. Yaresko, M. Höppner, Y. Matiks, Y.-L. Mathis, T. Takayama, A. Matsumoto, H. Takagi, B. Keimer, and A. V. Boris, Optical anisotropy of the Jeff= 1/2Mott insulator Sr 2IrO4, Physical Review B 94, 035158 (2016), publisher: American Physical Soci- ety

  72. [72]

    Bhandari, Z

    C. Bhandari, Z. S. Popović, and S. Satpathy, Electronic structure and optical properties of Sr2IrO4 under epi- taxial strain, New Journal of Physics21, 013036 (2019), publisher: IOP Publishing

  73. [73]

    Louat, B

    A. Louat, B. Lenz, S. Biermann, C. Martins, F. m. c. Bertran, P. Le Fèvre, J. E. Rault, F. Bert, and V.Brouet,ARPESstudyoforbitalcharacter, symmetry breaking, and pseudogaps in doped and pure Sr2IrO4, Phys. Rev. B100, 205135 (2019)

  74. [74]

    Brouet, P

    V. Brouet, P. Foulquier, A. Louat, F. m. c. Bertran, P. Le Fèvre, J. E. Rault, and D. Colson, Origin of the different electronic structure of Rh- and Ru-doped Sr2IrO4, Phys. Rev. B104, L121104 (2021)

  75. [75]

    Jarrell, J

    M. Jarrell, J. K. Freericks, and T. Pruschke, Optical conductivityoftheinfinite-dimensionalHubbardmodel, Phys. Rev. B51, 11704 (1995)

  76. [76]

    M. J. Rozenberg, G. Kotliar, H. Kajueter, G. A. Thomas, D. H. Rapkine, J. M. Honig, and P. Metcalf, Optical Conductivity in Mott-Hubbard Systems, Phys. Rev. Lett.75, 105 (1995)

  77. [77]

    Toschi, M

    A. Toschi, M. Capone, M. Ortolani, P. Calvani, S. Lupi, and C. Castellani, Temperature Dependence of the Op- tical Spectral Weight in the Cuprates: Role of Electron Correlations, Phys. Rev. Lett.95, 097002 (2005)

  78. [78]

    Toschi and M

    A. Toschi and M. Capone, Optical sum rule anomalies in the cuprates: Interplay between strong correlation and electronic band structure, Phys. Rev. B77, 014518 (2008)

  79. [79]

    Nicoletti, O

    D. Nicoletti, O. Limaj, P. Calvani, G. Rohringer, A. Toschi, G. Sangiovanni, M. Capone, K. Held, S. Ono, Y. Ando, and S. Lupi, High-Temperature Optical Spec- tral Weight and Fermi-liquid Renormalization in Bi- Based Cuprate Superconductors, Phys. Rev. Lett.105, 077002 (2010)

  80. [80]

    Y. K. Kim, O. Krupin, J. D. Denlinger, A. Bostwick, E. Rotenberg, Q. Zhao, J. F. Mitchell, J. W. Allen, and B. J. Kim, Fermi arcs in a doped pseudospin-1/2 heisenberg antiferromagnet, Science345, 187 (2014)

Showing first 80 references.