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Density functional theory of resonant inelastic x-ray scattering in the quasi-one-dimensional dimer iridate Ba3InIr2O9

D. A. Kukusta1, L. V. Bekenov1, Yu. Kucherenko1, and V. N. Antonov1,2

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Phys. Rev. Materials 9, 104415 – Published 30 October, 2025

DOI: https://doi.org/10.1103/mhbg-g51d

Abstract

We have investigated the electronic structure of Ba3InIr2O9 within the density-functional theory using the generalized gradient approximation while considering strong Coulomb correlations (GGA+U) in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. We have studied resonant inelastic x-ray scattering (RIXS) spectra of Ba3InIr2O9 at the Ir L3 edge for the monoclinic C2/c and hexagonal P63/mmc crystal structures. The calculated results are in good agreement with experimental data. The RIXS spectrum at the Ir L3 edge possesses several sharp features below 2 eV, corresponding to transitions within the Ir t2g levels. The excitation located from 2 to 5 eV is due to t2g → eg transitions. The wide structure situated at 5−12eV appears due to charge transfer transitions. The influence of the momentum transfer vector and incident photon energy on the Ir L3 RIXS spectrum has been investigated. Also, we have calculated the RIXS spectra of Ba3InIr2O9 at the Ir K, M3, M5, N3, N5, and N7 edges to study the influence of core states on the resulting Ir RIXS spectra. The theoretical RIXS spectrum at the oxygen K edge has also been analyzed.

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References (93)

  1. G. Jackeli and G. Khaliullin, Mott insulators in the strong spin-orbit coupling limit: From Heisenberg to a quantum compass and Kitaev models, Phys. Rev. Lett. 102, 017205 (2009).
  2. G. Chen, R. Pereira, and L. Balents, Exotic phases induced by strong spin-orbit coupling in ordered double perovskites, Phys. Rev. B 82, 174440 (2010).
  3. W. Witczak-Krempa, G. Chen, Y. B. Kim, and L. Balents, Correlated quantum phenomena in the strong spin-orbit regime, Annu. Rev. Condens. Matter Phys. 5, 57 (2014).
  4. 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 et al., Novel jeff=1/2 Mott state induced by relativistic spin-orbit coupling in Sr2IrO4, Phys. Rev. Lett. 101, 076402 (2008).
  5. C. Martins, M. Aichhorn, L. Vaugier, and S. Biermann, Reduced effective spin-orbital degeneracy and spin-orbital ordering in paramagnetic transition-metal oxides: Sr2IrO4 versus Sr2RhO4, Phys. Rev. Lett. 107, 266404 (2011).
  6. V. N. Antonov, S. Uba, and L. Uba, Electronic structure and x-ray magnetic circular dichroism in the hyperhoneycomb iridate β−Li2IrO4, Phys. Rev. B 98, 245113 (2018).
  7. V. N. Antonov, D. A. Kukusta, and L. V. Bekenov, Resonant inelastic x-ray scattering of the Jeff=12 Mott insulator Sr2IrO4 from density functional theory, Phys. Rev. B 109, 165120 (2024).
  8. X.-L. Qi and S.-C. Zhang, The quantum spin Hall effect and topological insulators, Phys. Today 63, 33 (2010).
  9. Y. Ando, Topological insulator materials, J. Phys. Soc. Jpn. 82, 102001 (2013).
  10. T. O. Wehling, A. Black-Schafferc, and A. Balatsky, Dirac materials, Adv. Phys. 63, 1 (2014).
  11. A. Bansil, H. Lin, and T. Das, Colloquium: Topological band theory, Rev. Mod. Phys. 88, 021004 (2016).
  12. B. 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, Science 323, 1329 (2009).
  13. H. Watanabe, T. Shirakawa, and S. Yunoki, Microscopic study of a spin-orbit-induced Mott insulator in ir oxides, Phys. Rev. Lett. 105, 216410 (2010).
  14. W. Witczak-Krempa and Y. B. Kim, Topological and magnetic phases of interacting electrons in the pyrochlore iridates, Phys. Rev. B 85, 045124 (2012).
  15. A. Go, W. Witczak-Krempa, G. S. Jeon, K. Park, and Y. B. Kim, Correlation effects on 3d topological phases: From bulk to boundary, Phys. Rev. Lett. 109, 066401 (2012).
  16. A. B. Sushkov, J. B. Hofmann, G. S. Jenkins, J. Ishikawa, S. Nakatsuji, S. DasSarma, and H. D. Drew, Optical evidence for a Weyl semimetal state in pyrochlore Eu2Ir2O7, Phys. Rev. B 92, 241108(R) (2015).
  17. I. Kimchi, J. G. Analytis, and A. Vishwanath, Three-dimensional quantum spin liquids in models of harmonic-honeycomb iridates and phase diagram in an infinite-D approximation, Phys. Rev. B 90, 205126 (2014).
  18. L. Balents, Spin liquids in frustrated magnets, Nature (London) 464, 199 (2010).
  19. L. S. L and L. Balents, Discovery of an ultra-quantum spin liquid, Rep. Prog. Phys. 80, 016502 (2017).
  20. D. I. Khomskii, Transition Metal Compounds (Cambridge University Press, Cambridge, 2014).
  21. K. I. Kugel, D. I. Khomskii, A. O. Sboychakov, and S. V. Streltsov, Spin-orbital interaction for face-sharing octahedra: Realization of a highly symmetric SU(4) model, Phys. Rev. B 91, 155125 (2015).
  22. K. Yamaura, H. W. Zandbergen, K. Abe, and R. J. Cava, Synthesis and properties of the structurally one-dimensional cobalt oxide Ba1–xSrxCoO3 (0≤x≤0.5), J. Solid State Chem. 146, 96 (1999).
  23. R. A. Gardner, M. Vlasse, and A. Wold, Preparation, properties and crystal structure of barium vanadium sulfide, BaVS3, Acta Cryst. 25 781 (1969).
  24. S. Hirotsu, Jahn-Teller induced phase transition in CsCuCl3: structural phase transition with helical atomic displacements, J. Phys. C 10, 967 (1977).
  25. T. Siegrist and B. L. Chamberland, The crystal structure of BaIrO3, J. Less-Common Met. 170, 93 (1991).
  26. S.-T. Hong and A. W. Sleight, Electronic structure of two crystallographic forms of BaRuO3, J. Solid State Chem. 128, 251 (1997).
  27. J. G. Zhao, L. X. Yang, Y. Yu, F. Y. Li, R. C. Yu, Z. Fang, L. C. Chen, and C. Q. Jin, Structural and physical properties of the 6H BaRuO3 polymorph synthesized under high pressure, J. Solid State Chem. 180, 2816 (2007).
  28. A. H. Carim, P. Dera, L. W. Finger, B. Mysen, C. T. Prewitt, and D. G. Schlom, Crystal structure and compressibility of Ba4Ru3O10, J. Solid State Chem. 149, 137 (2000).
  29. Y. Klein, G. Rousse, F. Damay, F. Porcher, G. Andre, and I. Terasaki, Antiferromagnetic order and consequences on the transport properties of Ba4Ru3O10, Phys. Rev. B 84, 054439 (2011).
  30. P. Köhl and D. Reinen, Die Kristallstrukturen der hexagonalen Elpasolithe Ba3NiSb2O9 und Ba3CuSb2O9 – röntgenographische und spektroskopische Ergebnisse, Z. Anorg. Allg. Chem. 433, 81 (1977).
  31. S. A. J. Kimber, M. S. Senn, S. Fratini, H. Wu, A. H. Hill, P. Manuel, J. P. Attfield, D. N. Argyriou, and P. F. Henry, Charge order at the frontier between the molecular and solid states in Ba3NaRu2O9, Phys. Rev. Lett. 108, 217205 (2012).
  32. M. S. Senn, A. M. A. Lopez, T. Saito, Y. Shimakawa, and J. P. Attfield, Nonmagnetic spin-singlet dimer formation and coupling to the lattice in the 6H perovskite Ba3CaRu2O9, J. Phys.: Condens. Matter 25, 496008 (2013).
  33. I. Fernandez, R. Greatrex, and N. N. Greenwood, 99Ru Mössbauer spectra of quaternary ruthenium(V) oxides with the hexagonal barium titanate structure, J. Solid State Chem. 34, 121 (1980).
  34. M. S. Senn, S. A. J. Kimber, A. M. Arevalo Lopez, A. H. Hill, and J. P. Attfield, Spin orders and lattice distortions of geometrically frustrated 6H-perovskites Ba3B′Ru2O9 (B′=La3+,Nd3+, and Y3+) Phys. Rev. B 87, 134402 (2013).
  35. J. T. Rijssenbeek, Q. Huang, R. W. Erwin, H. W. Zandbergen, and R. J. Cava, The crystal structure of Ba3CuRu2O9 and comparison to Ba3MRu2O9 (M=In, Co, Ni, and Fe), J. Solid State Chem. 146, 65 (1999).
  36. S. V. Streltsov, Magnetic moment suppression in Ba3CoRu2O9: Hybridization effect, Phys. Rev. B 88, 024429 (2013).
  37. U. von Treiber, S. Kemmler-Sack, and A. Ehmann, Edelmetallhaltige Sauerstoffperowskite vom Typ Ba3BM2O9 mit B = Mg, Fe, Co, Ni, Zn, Cd; M = Ru, Ir, Z. Anorg. Allg. Chem. 487, 189 (1982).
  38. J. T. Rijssenbeek, R. Jin, Y. Zadorozhny, Y. Liu, B. Batlogg, and R. J. Cava, Electrical and magnetic properties of the two crystallographic forms of BaRuO3, Phys. Rev. B 59, 4561 (1999).
  39. J. G. Cheng, G. Li, L. Balicas, J. S. Zhou, J. B. Goodenough, C. Xu, and H. D. Zhou, High-pressure sequence of Ba3NiSb2O9 structural phases: New S=1 quantum spin liquids based on Ni2+, Phys. Rev. Lett. 107, 197204 (2011).
  40. J. A. Quilliam, F. Bert, A. Manseau, C. Darie, C. Guillot-Deudon, C. Payen, C. Baines, A. Amato, and P. Mendels, Gapless quantum spin liquid ground state in the spin-1 antiferromagnet 6HB-Ba3NiSb2O9, Phys. Rev. B 93, 214432 (2016).
  41. B. Fak, S. Bieri, E. Canevet, L. Messio, C. Payen, M. Viaud, C. Guillot-Deudon, C. Darie, J. Ollivier, and P. Mendels, Evidence for a spinon Fermi surface in the triangular S=1 quantum spin liquid Ba3NiSb2O9, Phys. Rev. B 95, 060402(R) (2017).
  42. T. Dey, A. V. Mahajan, P. Khuntia, M. Baenitz, B. Koteswararao, and F. C. Chou, Spin-liquid behavior in Jeff=12 triangular lattice compound Ba3IrTi2O9 Phys. Rev. B 86, 140405(R) (2012).
  43. H. D. Zhou, E. S. Choi, G. Li, L. Balicas, C. R. Wiebe, Y. Qiu, J. R. D. Copley, and J. S. Gardner, Spin liquid state in the S=1/2 triangular lattice Ba3CuSb2O9, Phys. Rev. Lett. 106, 147204 (2011).
  44. S. Nakatsuji, K. Kuga, K. Kimura, R. Satake, N. Katayama, E. Nishibori, H. Sawa, R. Ishii, M. Hagiwara, F. B. T. U. Ito et al., Spin-orbital short-range order on a honeycomb-based lattice, Science 336, 559 (2012).
  45. J. A. Quilliam, F. Bert, E. Kermarrec, C. Payen, C. Guillot-Deudon, P. Bonville, C. Baines, H. Luetkens, and P. Mendels, Singlet ground state of the quantum antiferromagnet Ba3CuSb2O9, Phys. Rev. Lett. 109, 117203 (2012).
  46. A. Nag, S. Middey, S. Bhowal, S. K. Panda, R. Mathieu, J. C. Orain, F. Bert, P. Mendels, P. G. Freeman, M. Mansson et al., Origin of the spin-orbital liquid state in a nearly j=0 iridate Ba3ZnIr2O9, Phys. Rev. Lett. 116, 097205 (2016).
  47. Y. Shirata, H. Tanaka, A. Matsuo, and K. Kindo, Experimental realization of a spin-1/2 triangular-lattice Heisenberg antiferromagn, Phys. Rev. Lett. 108, 057205 (2012).
  48. H. D. Zhou, C. Xu, A. M. Hallas, H. J. Silverstein, C. R. Wiebe, I. Umegaki, J. Q. Yan, T. P. Murphy, J. H. Park, Y. Qiu et al., Successive phase transitions and extended spin-excitation continuum in the S=1/2 triangular-lattice antiferromagnet Ba3CoSb2O9, Phys. Rev. Lett. 109, 267206 (2012).
  49. T. Susuki, N. Kurita, T. Tanaka, H. Nojiri, A. Matsuo, K. Kindo, and H. Tanaka, Magnetization process and collective excitations in the S=1/2 triangular-lattice Heisenberg antiferromagnet Ba3CoSb2O9, Phys. Rev. Lett. 110, 267201 (2013).
  50. G. Koutroulakis, T. Zhou, Y. Kamiya, J. D. Thompson, H. D. Zhou, C. D. Batista, and S. E. Brown, Quantum phase diagram of the S=1/2 triangular-lattice antiferromagnet Ba3CoSb2O9 Phys. Rev. B 91, 024410 (2015).
  51. G. Quirion, M. Lapointe-Major, M. Poirier, J. A. Quilliam, Z. L. Dun, and H. D. Zhou, Magnetic phase diagram of Ba3CoSb2O9 as determined by ultrasound velocity measurements, Phys. Rev. B 92, 014414 (2015).
  52. S.-J. Kim, M. D. Smith, J. Darriet, and H.-C. zur Loye, Crystal growth of new perovskite and perovskite related iridates: Ba3LiIr2O9,Ba3NaIr2O9, and Ba3.44K1.56Ir2O10, J. Solid State Chem. 177, 1493 (2004).
  53. T. Sakamoto, Y. Doi, and Y. Hinatsu, Crystal structures and magnetic properties of 6H-perovskite-type oxides Ba3MIr2O9 (M=Mg, Ca, Sc, Ti, Zn, Sr, Zr, Cd and In), J. Solid State Chem. 179, 2595 (2006).
  54. Y. Doi and Y. Hinatsu, The structural and magnetic characterization of 6H-perovskite-type oxides Ba3LnIr2O9 (Ln = Y, lanthanides), J. Phys.: Condens. Matter 16, 2849 (2004).
  55. T. Dey, A. V. Mahajan, R. Kumar, B. Koteswararao, F. C. Chou, A. A. Omrani, and H. M. Ronnow, Possible spin-orbit driven spin-liquid ground state in the double perovskite phase of Ba3YIr2O9, Phys. Rev. B 88, 134425 (2013).
  56. A. Nag, S. Bhowal, F. Bert, A. D. Hillier, M. Itoh, I. Carlomagno, C. Meneghini, T. Sarkar, R. Mathieu, I. Dasgupta et al., Ba3MIr2O9 hexagonal perovskites in the light of spin-orbit coupling and local structural distortions, Phys. Rev. B 97, 064408 (2018).
  57. T. Dey, M. Majumder, J. C. Orain, A. Senyshyn, M. Prinz-Zwick, S. Bachus, Y. Tokiwa, F. Bert, P. Khuntia, N. Büttgen et al., Persistent low-temperature spin dynamics in the mixed-valence iridate Ba3InIr2O9, Phys. Rev. B 96, 174411 (2017).
  58. M. S. Khan, A. Bandyopadhyay, A. Nag, V. Kumar, A. V. Mahajan, and S. Ray, Magnetic ground state of the distorted 6H perovskite Ba3CdIr2O9, Phys. Rev. B 100, 064423 (2019).
  59. Y. Doi, K. Matsuhira, and Y. Hinatsu, Crystal Structures and Magnetic Properties of 6H-Perovskites Ba3MRu2O9 (M=Y, In, La, Sm, Eu, and Lu), J. Solid State Chem. 165, 317 (2002).
  60. A. Nag and S. Ray, Misjudging frustrations in spin liquids from oversimplified use of Curie-Weiss law, J. Magn. Magn. Mater. 424, 93 (2017).
  61. D. Ziat, A. A. Aczel, R. Sinclair, Q. Chen, H. D. Zhou, T. J. Williams, M. B. Stone, A. Verrier, and J. A. Quilliam, Frustrated spin-12 molecular magnetism in the mixed-valence antiferromagnets Ba3MRu2O9 (M=In, Y, Lu), Phys. Rev. B 95, 184424 (2017).
  62. T. Dey, R. Kumar, A. V. Mahajan, S. D. Kaushik, and V. Siruguri, Unconventional magnetism in the spin-orbit-driven Mott insulators Ba3MIr2O9 (M=Sc,Y), Phys. Rev. B 89, 205101 (2014).
  63. S. K. Panda, S. Bhowal, Y. Li, S. Ganguly, R. Valentí, L. Nordstrom, and I. Dasgupta, Electronic structure and spin-orbit driven magnetism in d4.5 insulator Ba3YIr2O9, Phys. Rev. B 92, 180403(R) (2015).
  64. C.-C. Kao, W. A. L. Caliebe, J. B. Hastings, and J.-M. Gillet, X-ray resonant Raman scattering in NiO: Resonant enhancement of the charge-transfer excitations, Phys. Rev. B 54, 16361 (1996).
  65. L. J. P. Ament, M. van Veenendaal, T. P. Devereaux, J. P. Hill, and J. van den Brink, Resonant inelastic x-ray scattering studies of elementary excitations, Rev. Mod. Phys. 83, 705 (2011).
  66. F. M. F. de Groot, M. W. Haverkort, H. Elnaggar, A. Juhin, K.-J. Zhou, and P. Glatzel, Resonant inelastic X-ray scattering, Nat. Rev. Methods Primers 4, 45 (2024).
  67. A. Revelli, M. Moretti Sala, G. Monaco, M. Magnaterra, J. Attig, L. Peterlini, T. Dey, A. A. Tsirlin, P. Gegenwart, T. Fröhlich, M. Braden et al., Quasimolecular electronic structure of the spin-liquid candidate Ba3InIr2O9, Phys. Rev. B 106, 155107 (2022).
  68. V. V. Nemoshkalenko, A. E. Krasovskii, V. N. Antonov, V. N. Antonov, U. Fleck, H. Wonn, and P. Ziesche, The relativistic linear muffin-tin orbital method application to Au, Phys. status solidi B 120, 283 (1983).
  69. E. Arola, P. Strange, and B. L. Gyorffy, Relativistic theory of magnetic scattering of x rays: Application to ferromagnetic iron, Phys. Rev. B 55, 472 (1997).
  70. V. N. Antonov, D. A. Kukusta, and L. V. Bekenov, Electronic structure and resonant inelastic x-ray scattering in osmates. I. Perovskite NaOsO3, Phys. Rev. B 105, 155144 (2022).
  71. J. Terzic, J. C. Wang, F. Ye, W. H. Song, S. J. Yuan, S. Aswartham, L. E. DeLong, S. V. Streltsov, D. I. Khomskii, and G. Cao, Coexisting charge and magnetic orders in the dimer-chain iridate Ba5AlIr2O11, Phys. Rev. B 91, 235147 (2015).
  72. V. N. Antonov, O. Jepsen, A. N. Yaresko, and A. P. Shpak, Electronic structure and x-ray magnetic circular dichroism in the Heusler alloy Co2MnGe, J. Appl. Phys. 100, 043711 (2006).
  73. V. N. Antonov, B. N. Harmon, A. N. Yaresko, and A. P. Shpak, X-ray magnetic circular dichroism in GdN: First-principles calculations, Phys. Rev. B 75, 184422 (2007).
  74. V. N. Antonov, A. N. Yaresko, and O. Jepsen, X-ray magnetic dichroism in III-V diluted magnetic semiconductors: First-principles calculations, Phys. Rev. B 81, 075209 (2010).
  75. O. K. Andersen, Linear methods in band theory, Phys. Rev. B 12, 3060 (1975).
  76. V. Antonov, B. Harmon, and A. Yaresko, Electronic Structure and Magneto-optical Properties of Solids (Kluwer, Dordrecht, 2004).
  77. J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77, 3865 (1996).
  78. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Improved tetrahedron method for Brillouin-zone integrations, Phys. Rev. B 49, 16223 (1994).
  79. A. N. Yaresko, V. N. Antonov, and P. Fulde, Localized U 5f electrons in UPd3 from LDA + U calculations, Phys. Rev. B 67, 155103 (2003).
  80. P. H. Dederichs, S. Blügel, R. Zeller, and H. Akai, Ground states of constrained systems: Application to cerium impurities, Phys. Rev. Lett. 53, 2512 (1984).
  81. W. E. Pickett, S. C. Erwin, and E. C. Ethridge, Reformulation of the LDA + 𝑈 method for a local-orbital basis, Phys. Rev. B 58, 1201 (1998).
  82. V. N. Antonov, D. A. Kukusta, and L. V. Bekenov, Electronic structure and resonant inelastic x-ray scattering in osmates. II. Pyrochlore Cd2Os2O7, Phys. Rev. B 105, 155145 (2022).
  83. T. Takayama, A. Krajewska, A. S. Gibbs, A. N. Yaresko, H. Ishii, H. Yamaoka, K. Ishii, N. Hiraoka, N. P. Funnell, C. L. Bull et al., Pressure-induced collapse of the spin-orbital Mott state in the hyperhoneycomb iridate β–Li2IrO3, Phys. Rev. B 99, 125127 (2019).
  84. V. N. Antonov, D. A. Kukusta, L. Uba, A. Bonda, and S. Uba, Resonant inelastic x-ray scattering spectra in the hyperhoneycomb iridate β–Li2IrO3: First-principles calculations, Phys. Rev. B 103, 235127 (2021).
  85. V. N. Antonov, D. A. Kukusta, and L. V. Bekenov, Electronic structure and resonant inelastic x-ray scattering in the mixed 3d−5d transition-metal oxides Sr3, CuIrO6, SrCuPtO6, and Sr3ZnIrO6, J. Electron Spectrosc. Relat. Phenom. 270, 147416 (2024).
  86. D. D. Koelling and B. N. Harmon, A technique for relativistic spin-polarised calculations, J. Phys. C 10, 3107 (1977).
  87. G. van der Laan and B. T. Thole, Local probe for spin-orbit interaction, Phys. Rev. Lett. 60, 1977 (1988).
  88. J. Kim, M. Daghofer, A. H. Said, T. Gog, J. van den Brink, G. Khaliullin, and B. J. Kim, Excitonic quasiparticles in a spinorbit Mott insulator, Nat. Commun. 5, 4453 (2014).
  89. J. Nichols, N. Bray-Ali, A. Ansary, G. Cao, and K.-W. Ng, Tunneling into the Mott insulator Sr2IrO4, Phys. Rev. B 89, 085125 (2014).
  90. X. Liu, V. M. Katukuri, L. Hozoi, W.-G. Yin, M. P. M. Dean, M. H. Upton, J. Kim, D. Casa, A. Said, T. Gog et al., Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr2CuIrO6, Phys. Rev. Lett. 109, 157401 (2012).
  91. A. Krajewska, T. Takayama, R. Dinnebier, A. Yaresko, K. Ishii, M. Isobe, and H. Takagi, Almost pure Jeff=12 Mott state of In2Ir2O7 in the limit of reduced intersite hopping, Phys. Rev. B 101, 121101(R) (2020).
  92. H. Ebert, Fully relativistic treatment of core states for spin-dependent potential, J. Phys.: Condens. Matter 1, 9111 (1989).
  93. V. N. Antonov, D. A. Kukusta, and L. V. Bekenov, Electronic structure and resonant inelastic x-ray scattering in Ca3Ru2O7, Phys. Rev. Mater. 8, 074401 (2024).

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Phys. Rev. Materials 9, 104415– Published 30 October, 2025
  • Received 27 February 2025
  • Accepted 29 September 2025
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