- Physical Review Journals
All JournalsPhysics Magazine

Physical Review B

Reuse & Permissions

It is not necessary to obtain permission to reuse this article or its components as it is available under the terms of the Creative Commons Attribution 4.0 International license. This license permits unrestricted use, distribution, and reproduction in any medium, provided attribution to the author(s) and the published article's title, journal citation, and DOI are maintained. Please note that some figures may have been included with permission from other third parties. It is your responsibility to obtain the proper permission from the rights holder directly for these figures.

Export citation

Export citation

Choose format for download:

Download Citation
  • Open Access

Chirality induced spin and orbital Edelstein response in nonmagnetic B20 bulk crystals: The role of geometry, spin-orbit coupling, and finite temperature

Alberto Marmodoro1,2,*, Ondřej Šipr1,2,†, Ilja Turek3, Annika Johansson4,5, Sergiy Mankovsky6, and Hubert Ebert6

  • *Contact author: marmodoro@fzu.cz
  • †Deceased.
PDF

Phys. Rev. B 113, 075148 – Published 23 February, 2026

DOI: https://doi.org/10.1103/1wl4-3szn

Abstract

Chiral crystals have a noncentrosymmetric unit cell and can manifest spin-orbit coupling (SOC)-induced band splitting, even in the absence of an atomic magnetic moment. We examine the particular case of Strukturbericht B20 compounds, with AlPt as representative material, by means of first-principles electronic structure calculations. We show how nonzero, but punctually compensated k textures for both the spin and the orbital magnetic moment, emerge as a function of the lattice geometry, SOC, and in dependence on finite temperature. An applied electric field perturbation is shown to set up a bulk Edelstein effect in terms of both spin and orbital magnetic moment.

View figure in article

Physics Subject Headings (PhySH)

Article Text

Supplemental Material

References (45)

  1. L. D. Yuan, Z. Wang, J. W. Luo, E. I. Rashba, and A. Zunger, Giant momentum-dependent spin splitting in centrosymmetric low-Z antiferromagnets, Phys. Rev. B 102, 014422 (2020).
  2. L. D. Yuan, Z. Wang, J. W. Luo, and A. Zunger, Prediction of low-Z collinear and noncollinear antiferromagnetic compounds having momentum-dependent spin splitting even without spin-orbit coupling, Phys. Rev. Mater. 5, 014409 (2021).
  3. C. Mera Acosta, L. Yuan, G. M. Dalpian, and A. Zunger, Different shapes of spin textures as a journey through the Brillouin zone, Phys. Rev. B 104, 104408 (2021).
  4. G. H. Fecher, J. Kübler, and C. Felser, Chirality in the solid state: Chiral crystal structures in chiral and achiral space groups, Materials (Basel). 15, 5812 (2022).
  5. D. Hochberg, D. Hochberg, and G. Edwards, Structural information in the local electric field of dissolved B-DNA, Phys. Rev. E 49, 851 (1994).
  6. S. Yeganeh, M. A. Ratner, E. Medina, and V. Mujica, Chiral electron transport: Scattering through helical potentials, J. Chem. Phys. 131, 014707 (2009).
  7. Z. Xie, T. Z. Markus, S. R. Cohen, Z. Vager, R. Gutierrez, and R. Naaman, Spin specific electron conduction through DNA oligomers, Nano Lett. 11, 4652 (2011).
  8. S. Varela, V. Mujica, and E. Medina, Effective spin-orbit couplings in an analytical tight-binding model of DNA: Spin filtering and chiral spin transport, Phys. Rev. B 93, 155436 (2016).
  9. D. H. Waldeck, R. Naaman, and Y. Paltiel, The spin selectivity effect in chiral materials, APL Mater. 9, 040902 (2021).
  10. F. Calavalle, M. Suárez-Rodríguez, B. Martín-García, A. Johansson, D. C. Vaz, H. Yang, I. V. Maznichenko, S. Ostanin, A. Mateo-Alonso, A. Chuvilin, I. Mertig, M. Gobbi, F. Casanova, and L. E. Hueso, Gate-tuneable and chirality-dependent charge-to-spin conversion in tellurium nanowires, Nature Mater. 21 526 (2022).
  11. O. Nial, X-ray studies on binary alloys of tin with transition metals. II. The binary system of tin with the platinum metals, Sven. Kem. Tidskr. 59, 172 (1947).
  12. K. Göransson, I. Engström, and B. Noläng, Structure refinements for some platinum metal monosilicides, J. Alloys Compd. 219, 107 (1995).
  13. V. I. Larchev and S. V. Popova, The polymorphism of transition metal monogermanides at high pressures and temperatures, J. Less-Common Met. 87, 53 (1982).
  14. H. Stadelmaier and W. Hardy, Ternäre Kohlenstofflegierungen von Palladium und Platin mit Magnesium, Aluminium, Zink, Gallium, Germanium, Kadmium, Indium, Zinn, Quecksilber, Thallium und Blei, Zeitschrift für Met. 52, 391 (1961).
  15. M. Peacock, On potarite, Univ. Toronto Stud. Geol. Ser. 49, 71 (1945).
  16. W. Rossteutscher and K. Schubert, Strukturuntersuchungen in einigen T(4-5)-B(4-5)-Systemen, Zeitschrift für Met. Met. 56, 813 (1965).
  17. O. Schob and E. Parthé, The structure of HfSn, Acta Crystallogr. 17, 452 (1964).
  18. M. K. Bhargava, A. A. Gadalla, and K. Schubert, Koexistente phasen vom FeSi-Typ in den mischungen Ni-Pd-Ga und Ni-Pt-Ga, J. Less-Common Met. 42, 69 (1975).
  19. O. Levy, G. L. Hart, and S. Curtarolo, Hafnium binary alloys from experiments and first principles, Acta Mater. 58, 2887 (2010).
  20. B. Cullity, The crystal structure of AuBe, Trans. Am. Inst. Mining, Metall. Pet. Eng. 171, 396 (1947).
  21. R. Ferro and R. Capelli, Ricerche sulle leghe dei metalli nobili con gli elementi più elettropositivi. - VII. Calori di formazione delle leghe alluminio-palladio, Atti Accad. Naz. dei Lincei 8, 659 (1963).
  22. N. B. Schröter, D. Pei, M. G. Vergniory, Y. Sun, K. Manna, F. de Juan, J. A. Krieger, V. Süss, M. Schmidt, P. Dudin, B. Bradlyn, T. K. Kim, T. Schmitt, C. Cacho, C. Felser, V. N. Strocov, and Y. Chen, Chiral topological semimetal with multifold band crossings and long Fermi arcs, Nature Phys. 15, 759 (2019).
  23. M. Armbrüster, H. Borrmann, M. Wedel, Y. Prots, R. Giedigkeit, and P. Gille, Refinement of the crystal structure of palladium gallium (1:1), PdGa, Z. Kristallogr. - New Cryst. Struct. 225, 617 (2010).
  24. J. A. Krieger, S. Stolz, I. Robredo, K. Manna, E. C. McFarlane, M. Date, B. Pal, J. Yang, E. B. Guedes, J. H. Dil, C. M. Polley, M. Leandersson, C. Shekhar, H. Borrmann, Q. Yang, M. Lin, V. N. Strocov, M. Caputo, M. D. Watson, T. K. Kim, et al., Weyl spin-momentum locking in a chiral topological semimetal, Nature Commun. 15, 3720 (2024).
  25. H. Ebert, S. Mankovsky, K. Chadova, S. Polesya, J. Minar, and D. Ködderitzsch, Calculating linear-response functions for finite temperatures on the basis of the alloy analogy model, Phys. Rev. B 91, 165132 (2015).
  26. H. Ebert, D. Ködderitzsch, and J. Minár, Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications, Rep. Prog. Phys. 74, 096501 (2011).
  27. P. Strange, H. Ebert, J. Staunton, and B. Györffy, Relativistic spin-polarised scattering theory-solution of the single-site problem, J. Phys. C: Solid State Phys. 17, 3355 (1984).
  28. P. Strange, Relativistic Quantum Mechanics: With Applications in Condensed Matter and Atomic Physics (Cambridge University Press, Cambridge, 1998).
  29. J. Mašek and J. Kudrnovský, Electron states in random substitutional alloys: The self-energy, J. Phys. Chem. Solids 49, 349 (1988).
  30. F. Aryasetiawan and K. Karlsson, Modern theory of orbital magnetic moment in solids, J. Phys. Chem. Solids 128, 87 (2019).
  31. M. E. Rose, Relativistic Electron Theory (Wiley, New York, 1961).
  32. A. Pindor, J. B. Staunton, G. Stocks, and H. Winter, Disordered local moment state of magnetic transition metals: a self-consistent KKR CPA calculation, J. Phys. F: Met. Phys. 13, 979 (1983).
  33. J. B. Staunton, Relativistic effects and disordered local moments in magnets, Psi-k Newsl. 82, 88 (2007).
  34. D. Ködderitzsch, K. Chadova, and H. Ebert, Linear response Kubo-Bastin formalism with application to the anomalous and spin Hall effects: A first-principles approach, Phys. Rev. B 92, 184415 (2015).
  35. V. Edelstein, Spin polarization of conduction electrons induced by electric current in two-dimensional asymmetric electron systems, Solid State Commun. 73, 233 (1990).
  36. W. H. Butler, Theory of electronic transport in random alloys: Korringa-Kohn-Rostoker coherent-potential approximation, Phys. Rev. B 31, 3260 (1985).
  37. H. Ebert, H. Freyer, A. Vernes, and G.-Y. Guo, Manipulation of the spin-orbit coupling using the Dirac equation for spin-dependent potentials, Phys. Rev. B 53, 7721 (1996).
  38. M. Seemann, D. Ködderitzsch, S. Wimmer, and H. Ebert, Symmetry-imposed shape of linear response tensors, Phys. Rev. B 92, 155138 (2015).
  39. S. Hayami, M. Yatsushiro, Y. Yanagi, and H. Kusunose, Classification of atomic-scale multipoles under crystallographic point groups and application to linear response tensors, Phys. Rev. B 98, 165110 (2018).
  40. J. W. Davenport, R. E. Watson, and M. Weinert, Linear augmented-Slater-type-orbital method for electronic-structure calculations. V. Spin-orbit splitting in Cu3Au, Phys. Rev. B 37, 9985 (1988).
  41. V. Saini, S. Sasmal, R. Kulkarni, B. Singh, A. Thamizhavel, A. Nakamura, and D. Aoki, Analysis of unconventional chiral fermions in a noncentrosymmetric chiral crystal PtAl, Phys. Rev. B 106, 125126 (2022).
  42. G. Dresselhaus, Spin-orbit coupling effects in zinc blende structures, Phys. Rev. 100, 580 (1955).
  43. See Supplemental Material at http://link.aps.org/supplemental/10.1103/1wl4-3szn for a model Hamiltonian illustration.
  44. H. Takizawa, T. Yamashita, K. Uheda, and T. Endo, High-pressure synthesis of ferromagnetic Mn3Ge with the Cu3Au-type structure, J. Phys.: Condens. Matter 14, 11147 (2002).
  45. O. Šipr, S. Wimmer, S. Mankovsky, and H. Ebert, Transport properties of doped permalloy via ab initio calculations: Effect of host disorder, Phys. Rev. B 101, 085109 (2020).

Outline

Information

Phys. Rev. B 113, 075148– Published 23 February, 2026
  • Received 21 October 2025
  • Revised 21 January 2026
  • Accepted 2 February 2026
Crossmark - Check for updates button
Creative Commons Logo

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

Published by the American Physical Society

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation