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Electronic structure of the Gd-based intermetallics GdCu2Ge2 and GdCuAl3

M. Pinterić1,2, M. Dressel1, P. Puphal3,*, and M. Wenzel1,†

  • *Contact author: p.puphal@fkf.mpg.de
  • †Contact author: maxim.wenzel@pi1.physik.uni-stuttgart.de

Phys. Rev. B 114, 175119 – Published 14 September, 2026

DOI: https://doi.org/10.1103/mrpm-nkms

Abstract

We present a temperature-dependent reflectivity study of single crystals of the ternary intermetallic compounds GdCu2Ge2 and GdCuAl3 over a broad spectral range (100–18000cm−1, equivalent to 12 meV–2.23 eV) down to 13 K. Below 2000 cm−1, the optical spectra are dominated by the response of itinerant charge carriers exhibiting two distinct scattering rates. While the response of the highly damped charge carriers shows negligible temperature dependence, the weakly damped carriers closely follow the dc resistivity and are significantly suppressed in GdCuAl3, consistent with its higher resistivity. Supported by density-functional theory calculations, we further show that elemental substitution from GdCu2Ge2 to GdCuAl3 tunes the X-site p-orbital character (X = Ge, Al) of the low-energy electronic structure, while preserving key features such as linearly dispersing bands and saddle points despite the accompanying structural modifications. The reduced experimental plasma frequency of both compounds signals enhanced electronic correlations, which induce moderate band-energy renormalization.

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References (73)

  1. Y. Lai, J. Y. Chan, and R. E. Baumbach, Electronic landscape of the f-electron intermetallics with the ThCr2Si2 structure, Sci. Adv. 8, eabp8264 (2022).
  2. M. Shatruk, ThCr2Si2 structure type: The “perovskite” of intermetallics, J. Solid State Chem. 272, 198 (2019).
  3. D. Johrendt, C. Felser, O. Jepsen, O. K. Andersen, A. Mewis, and J. Rouxel, LMTO band structure calculations of ThCr2Si2-type transition metal compounds, J. Solid State Chem. 130, 254 (1997).
  4. A. Szytuła and J. Leciejewicz, Magnetic properties of ternary intermetallic compounds of the RT2X2 type, in Handbook on the Physics and Chemistry of Rare Earths, Vol. 12, edited by K. A. Gschneidner, Jr. and L. Eyring (Elsevier, Amsterdam, 1989), pp. 133–211.
  5. X. Tan, Z. P. Tener, and M. Shatruk, Correlating itinerant magnetism in RCo2Pn2 pnictides (R = La, Ce, Pr, Nd, Eu, Ca; Pn = P, As) to their crystal and electronic structures, Acc. Chem. Res. 51, 230 (2018).
  6. L. Petit, D. Paudyal, Y. Mudryk, K. A. Gschneidner, V. K. Pecharsky, M. Lüders, Z. Szotek, R. Banerjee, and J. B. Staunton, Complex magnetism of lanthanide intermetallics and the role of their valence electrons: Ab initio theory and experiment, Phys. Rev. Lett. 115, 207201 (2015).
  7. C. Pfleiderer, Superconducting phases of f-electron compounds, Rev. Mod. Phys. 81, 1551 (2009).
  8. M. Dzero, K. Sun, V. Galitski, and P. Coleman, Topological Kondo insulators, Phys. Rev. Lett. 104, 106408 (2010).
  9. P. Puphal, V. Pomjakushin, N. Kanazawa, V. Ukleev, D. J. Gawryluk, J. Ma, M. Naamneh, N. C. Plumb, L. Keller, R. Cubitt, E. Pomjakushina, and J. S. White, Topological magnetic phase in the candidate Weyl semimetal CeAlGe, Phys. Rev. Lett. 124, 017202 (2020).
  10. U. Häussermann, S. Amerioun, L. Eriksson, C.-S. Lee, and G. J. Miller, The s-p bonded representatives of the prominent BaAl4 structure type: A case study on structural stability of polar intermetallic network structures, J. Am. Chem. Soc. 124, 4371 (2002).
  11. E. Parthé, B. Chabot, H. F. Braun, and N. Engel, Ternary BaAl4-type derivative structures, Acta Cryst. B 39, 588 (1983).
  12. S. Khim, J. F. Landaeta, J. Banda, N. Bannor, M. Brando, P. M. R. Brydon, D. Hafner, R. Küchler, R. Cardoso-Gil, U. Stockert, et al., Field-induced transition within the superconducting state of CeRh2As2, Science 373, 1012 (2021).
  13. K. Nogaki, A. Daido, J. Ishizuka, and Y. Yanase, Topological crystalline superconductivity in locally noncentrosymmetric CeRh2As2, Phys. Rev. Res. 3, L032071 (2021).
  14. H. Q. Yuan, F. M. Grosche, M. Deppe, C. Geibel, G. Sparn, and F. Steglich, Observation of two distinct superconducting phases in CeCu2Si2, Science 302, 2104 (2003).
  15. E. Schuberth, M. Tippmann, L. Steinke, S. Lausberg, A. Steppke, M. Brando, C. Krellner, C. Geibel, R. Yu, Q. Si, and F. Steglich, Emergence of superconductivity in the canonical heavy-electron metal YbRh2Si2, Science 351, 485 (2016).
  16. F. Steglich, Unconventional superconductivity in the Kondo-lattice system CeCu2Si2—A personal perspective, New Phys.: Sae Mulli 73, 1067 (2023).
  17. B. White, J. Thompson, and M. Maple, Unconventional superconductivity in heavy-fermion compounds, Physica C 514, 246 (2015).
  18. N. Kimura and I. Bonalde, Non-centrosymmetric heavy-fermion superconductors, in Non-Centrosymmetric Superconductors: Introduction and Overview, edited by E. Bauer and M. Sigrist (Springer, Berlin, 2012), pp. 35–79.
  19. V. K. Anand, D. T. Adroja, A. Bhattacharyya, B. Klemke, and B. Lake, Kondo lattice heavy fermion behavior in CeRh2Ga2, J. Phys.: Condens. Matter 29, 135601 (2017).
  20. R. Lefévre and F. O. von Rohr, A heavy fermion Zn-deficient CaBe2Ge2-type phase with rare Ce-based ferromagnetism and large magnetoresistance, Chem. Mater. 34, 2352 (2022).
  21. L. C. Gupta, D. E. MacLaughlin, C. Tien, C. Godart, M. A. Edwards, and R. D. Parks, Magnetic behavior of the Kondo-lattice system CeRu2Si2, Phys. Rev. B 28, 3673 (1983).
  22. G. Knebel, M. Brando, J. Hemberger, M. Nicklas, W. Trinkl, and A. Loidl, Magnetic, calorimetric, and transport properties of Ce(Pd1−xNix)2Ge2 and CeNi2(Ge1−ySiy)2, Phys. Rev. B 59, 12390 (1999).
  23. M. Mihalik, M. Diviš, and V. Sechovský, Electronic and crystal structure of α- and β−CeIr2Si2, Physica B 404, 3191 (2009).
  24. P. Gegenwart, C. Langhammer, C. Geibel, R. Helfrich, M. Lang, G. Sparn, F. Steglich, R. Horn, L. Donnevert, A. Link, and W. Assmus, Breakup of heavy fermions on the brink of “phase A” in CeCu2Si2, Phys. Rev. Lett. 81, 1501 (1998).
  25. J. Lee, K. Prokeš, S. Park, I. Zaliznyak, S. Dissanayake, M. Matsuda, M. Frontzek, S. Stoupin, G. L. Chappell, R. E. Baumbach, C. Park, J. A. Mydosh, G. E. Granroth, and J. P. C. Ruff, Charge density wave with anomalous temperature dependence in UPt2Si2, Phys. Rev. B 102, 041112(R) (2020).
  26. J. A. Mydosh, P. M. Oppeneer, and P. S. Riseborough, Hidden order and beyond: An experimental–theoretical overview of the multifaceted behavior of URu2Si2, J. Phys.: Condens. Matter 32, 143002 (2020).
  27. V. Ivanov, X. Wan, and S. Y. Savrasov, Renormalized quasiparticles, topological monopoles, and superconducting line nodes in heavy-fermion CeTX3 compounds, Phys. Rev. B 103, L041112 (2021).
  28. A. K. Kundu, T. Roy, S. Pakhira, Z.-B. Wu, M. Tsujikawa, M. Shirai, D. C. Johnston, A. N. Pasupathy, and T. Valla, Topological electronic structure of YbMg2Bi2 and CaMg2Bi2, npj Quantum Mater. 7, 67 (2022).
  29. R. Mallik and E. V. Sampathkumaran, Magnetic precursor effects, electrical and magnetoresistance anomalies, and heat-capacity behavior of Gd alloys, Phys. Rev. B 58, 9178 (1998).
  30. M. Güttler, A. Generalov, M. M. Otrokov, K. Kummer, K. Kliemt, A. Fedorov, A. Chikina, S. Danzenbächer, S. Schulz, E. V. Chulkov, et al., Robust and tunable itinerant ferromagnetism at the silicon surface of the antiferromagnet GdRh2Si2, Sci. Rep. 6, 24254 (2016).
  31. D. J. Garcia, J. G. Sereni, and A. A. Aligia, Specific heat of Gd3+ and Eu2+-based magnetic compounds, arXiv:2410.23519.
  32. S. I. Kimura, J. Sichelschmidt, and S. Khim, Optical study of the electronic structure of locally noncentrosymmetric CeRh2As2, Phys. Rev. B 104, 245116 (2021).
  33. R. Pöttgen and K. Łątka, Gd155 Mössbauer spectroscopy on intermetallics – An overview, Z. Anorg. Allg. Chem. 636, 2244 (2010).
  34. K. Kliemt, M. Hofmann-Kliemt, K. Kummer, F. Yakhou-Harris, C. Krellner, and C. Geibel, GdRh2Si2: An exemplary tetragonal system for antiferromagnetic order with weak in-plane anisotropy, Phys. Rev. B 95, 134403 (2017).
  35. J. Barandiaran, D. Gignoux, D. Schmitt, J. Gomez-Sal, J. Rodriguez Fernandez, P. Chieux, and J. Schweizer, Magnetic properties and magnetic structure of GdNi2Si2 and GdCu2Si2 compounds, J. Magn. Magn. Mater. 73, 233 (1988).
  36. P. Kumar, N. K. Singh, K. G. Suresh, A. K. Nigam, and S. K. Malik, Effect of Ge substitution for Si on the anomalous magnetocaloric and magnetoresistance properties of GdMn2Si2 compounds, J. Appl. Phys. 101, 013908 (2007).
  37. D. Singh, Y. Fujishiro, S. Hayami, S. H. Moody, T. Nomoto, P. R. Baral, V. Ukleev, R. Cubitt, N.-J. Steinke, D. J. Gawryluk, et al., Transition between distinct hybrid skyrmion textures through their hexagonal-to-square crystal transformation in a polar magnet, Nat. Commun. 14, 8050 (2023).
  38. T. Matsumura, K. Kurauchi, M. Tsukagoshi, N. Higa, H. Nakao, M. Kakihana, M. Hedo, T. Nakama, and Y. Ōnuki, Helicity unification by triangular skyrmion lattice formation in the noncentrosymmetric tetragonal magnet EuNiGe3, J. Phys. Soc. Jpn. 93, 074705 (2024).
  39. Y. Yasui, C. J. Butler, N. D. Khanh, S. Hayami, T. Nomoto, T. Hanaguri, Y. Motome, R. Arita, T.-h. Arima, Y. Tokura, and S. Seki, Imaging the coupling between itinerant electrons and localised moments in the centrosymmetric skyrmion magnet GdRu2Si2, Nat. Commun. 11, 5925 (2020).
  40. G. D. A. Wood, D. D. Khalyavin, D. A. Mayoh, J. Bouaziz, A. E. Hall, S. J. R. Holt, F. Orlandi, P. Manuel, S. Blügel, J. B. Staunton, O. A. Petrenko, M. R. Lees, and G. Balakrishnan, Double-Q ground state with topological charge stripes in the centrosymmetric skyrmion candidate GdRu2Si2, Phys. Rev. B 107, L180402 (2023).
  41. J. Bouaziz, E. Mendive-Tapia, S. Blügel, and J. B. Staunton, Fermi-surface origin of skyrmion lattices in centrosymmetric rare-earth intermetallics, Phys. Rev. Lett. 128, 157206 (2022).
  42. T. Kurumaji, T. Nakajima, M. Hirschberger, A. Kikkawa, Y. Yamasaki, H. Sagayama, H. Nakao, Y. Taguchi, T.-H. Arima, and Y. Tokura, Skyrmion lattice with a giant topological Hall effect in a frustrated triangular-lattice magnet, Science 365, 914 (2019).
  43. K. Momma and F. Izumi, VESTA: A three-dimensional visualization system for electronic and structural analysis, J. Appl. Crystallogr. 41, 653 (2008).
  44. See Supplemental Material at http://link.aps.org/supplemental/10.1103/mrpm-nkms for the cif files, decomposed optical spectra at other temperatures, and additional computational results.
  45. F. Mulder, R. Thiel, and K. Buschow, Gd155 Mössbauer effect and magnetic properties of ternary rare earth compounds of the type RT2Ge2 (T=3d, 4d), J. Alloys Compd. 202, 29 (1993).
  46. F. Mulder, R. Thiel, and K. Buschow, Gd155 Mössbauer effect in several BaNiSn3-type compounds, J. Alloys Compd. 216, 95 (1994).
  47. C. C. Homes, M. Reedyk, D. A. Cradles, and T. Timusk, Technique for measuring the reflectance of irregular, submillimeter-sized samples, Appl. Opt. 32, 2976 (1993).
  48. D. B. Tanner, Use of x-ray scattering functions in Kramers-Kronig analysis of reflectance, Phys. Rev. B 91, 035123 (2015).
  49. M. Dressel and G. Grüner, Electrodynamics of Solids: Optical Properties of Electrons in Matter (Cambridge University Press, Cambridge, 2002).
  50. P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, J. Luitz, R. Laskowski, F. Tran, and L. Marks, WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn. Universität Wien, Austria, 2018).
  51. P. Blaha, K. Schwarz, F. Tran, R. Laskowski, G. K. H. Madsen, and L. D. Marks, WIEN2k: An APW+lo program for calculating the properties of solids, J. Chem. Phys. 152, 074101 (2020).
  52. J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77, 3865 (1996).
  53. C. Ambrosch-Draxl and J. O. Sofo, Linear optical properties of solids within the full-potential linearized augmented planewave method, Comput. Phys. Commun. 175, 1 (2006).
  54. M. B. Schilling, A. Löhle, D. Neubauer, C. Shekhar, C. Felser, M. Dressel, and A. V. Pronin, Two-channel conduction in YbPtBi, Phys. Rev. B 95, 155201 (2017).
  55. D. Neubauer, A. Yaresko, W. Li, A. Löhle, R. Hübner, M. B. Schilling, C. Shekhar, C. Felser, M. Dressel, and A. V. Pronin, Optical conductivity of the Weyl semimetal NbP, Phys. Rev. B 98, 195203 (2018).
  56. R. Yang, C.-C. Le, P. Zhu, Z.-W. Wang, T. Shang, Y.-M. Dai, J.-P. Hu, and M. Dressel, Charge density wave transition in the magnetic topological semimetal EuAl4, Phys. Rev. B 109, L041113 (2024).
  57. C. C. Homes, T. Wolf, and C. Meingast, Anisotropic optical properties of detwinned BaFe2As2, Phys. Rev. B 102, 155135 (2020).
  58. M. Nakajima, S. Ishida, T. Tanaka, K. Kihou, Y. Tomioka, T. Saito, C.-H. Lee, H. Fukazawa, Y. Kohori, T. Kakeshita, et al., Strong electronic correlations in iron pnictides: Comparison of optical spectra for BaFe2As2-related compounds, J. Phys. Soc. Jpn. 83, 104703 (2014).
  59. L. Z. Maulana, K. Manna, E. Uykur, C. Felser, M. Dressel, and A. V. Pronin, Optical conductivity of multifold fermions: The case of RhSi, Phys. Rev. Res. 2, 023018 (2020).
  60. N. Barišić, D. Wu, M. Dressel, L. J. Li, G. H. Cao, and Z. A. Xu, Electrodynamics of electron-doped iron pnictide superconductors: Normal-state properties, Phys. Rev. B 82, 054518 (2010).
  61. R. Kemmler, R. Hübner, A. Löhle, D. Neubauer, I. Voloshenko, L. M. Schoop, M. Dressel, and A. V. Pronin, Free-carrier dynamics in Au2Pb probed by optical conductivity measurements, J. Phys.: Condens. Matter 30, 485403 (2018).
  62. Z. Ni, B. Xu, M.-Á. Sánchez-Martínez, Y. Zhang, K. Manna, C. Bernhard, J. W. F. Venderbos, F. de Juan, C. Felser, A. G. Grushin, and L. Wu, Linear and nonlinear optical responses in the chiral multifold semimetal RhSi, npj Quantum Mater. 5, 96 (2020).
  63. D. L. Maslov and A. V. Chubukov, Optical response of correlated electron systems, Rep. Prog. Phys. 80, 026503 (2017).
  64. Y. Shao, A. N. Rudenko, J. Hu, Z. Sun, Y. Zhu, S. Moon, A. J. Millis, S. Yuan, A. I. Lichtenstein, D. Smirnov, et al., Electronic correlations in nodal-line semimetals, Nat. Phys. 16, 636 (2020).
  65. M. M. Qazilbash, J. J. Hamlin, R. E. Baumbach, L. Zhang, D. J. Singh, M. B. Maple, and D. N. Basov, Electronic correlations in the iron pnictides, Nat. Phys. 5, 647 (2009).
  66. M. Wenzel, E. Uykur, A. A. Tsirlin, A. N. C. Salinas, B. R. Ortiz, S. D. Wilson, and M. Dressel, Interplay of d- and p-states in RbTi3Bi5 and CsTi3Bi5 flat-band kagome metals, Phys. Rev. B 112, L041122 (2025).
  67. Y. Okamura, S. Minami, Y. Kato, Y. Fujishiro, Y. Kaneko, J. Ikeda, J. Muramoto, R. Kaneko, K. Ueda, V. Kocsis, et al., Giant magneto-optical responses in magnetic Weyl semimetal Co3Sn2S2, Nat. Commun. 11, 4619 (2020).
  68. M. K. Stewart, C.-H. Yee, J. Liu, M. Kareev, R. K. Smith, B. C. Chapler, M. Varela, P. J. Ryan, K. Haule, J. Chakhalian, and D. N. Basov, Optical study of strained ultrathin films of strongly correlated LaNiO3, Phys. Rev. B 83, 075125 (2011).
  69. M. Wenzel, E. Uykur, A. A. Tsirlin, S. Pal, R. M. Roy, C. Yi, C. Shekhar, C. Felser, A. V. Pronin, and M. Dressel, Intriguing low-temperature phase in the antiferromagnetic kagome metal FeGe, Phys. Rev. Lett. 132, 266505 (2024).
  70. I. P. Miranda, A. B. Klautau, A. Bergman, and H. M. Petrilli, Band filling effects on the emergence of magnetic skyrmions: Pd/Fe and Pd/Co bilayers on Ir(111), Phys. Rev. B 105, 224413 (2022).
  71. B. Dupé, G. Bihlmayer, M. Böttcher, S. Blügel, and S. Heinze, Engineering skyrmions in transition-metal multilayers for spintronics, Nat. Commun. 7, 11779 (2016).
  72. R. S. Markiewicz, Van Hove singularity and high-Tc superconductivity: A review, Int. J. Mod. Phys. B 05, 2037 (1991).
  73. V. Y. Irkhin, A. A. Katanin, and M. I. Katsnelson, Robustness of the Van Hove scenario for high-Tc superconductors, Phys. Rev. Lett. 89, 076401 (2002).

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