Altermagnetism in 6H perovskites
Source abstract
Abstract
The combination of a centrosymmetric crystallographic structure with local structural alternations and collinear antiferromagnetism can lead to broken PT (Parity × Time-reversal) symmetry, resulting in altermagnets with non-relativistic spin-split bands. The 6H perovskites with composition A 3 BB’ 2 O 9 exhibit unique layered structural alternations and typically adopt an antiferromagnetic ground state. Here, we report the discovery that several 6H perovskites are indeed altermagnets exhibiting non-relativistic spin-split bands. We also explore the possible presence of net magnetization due to spin-orbit coupling in these materials, as well as the manifestation of giant piezomagnetism. Since the single crystals of 6H perovskites can be readily grown and cleavable, our findings provide a new avenue to study the cleaved atomically-flat surfaces of altermagnets with advanced experimental techniques such as spin-resolved scanning tunneling microscopy (STM) or spin-resolved angle-resolved photoemission spectroscopy (ARPES) to explore their spin splitting nature.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advanced Condensed Matter Physics · Magnetic and transport properties of perovskites and related materials · Multiferroics and related materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (43)
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1. De, S. et al. Chemistry and physics of triple perovskite oxides: a topical review. Chem. Mater. 36, 9207–9233 (2024).10.1021/acs.chemmater.4c00603 ↗
2. Kobayashi, K.-I., Kimura, T., Sawada, H., Terakura, K. & Tokura, Y. Room-temperature magnetoresistance in an oxide material with an ordered double-perovskite structure. Nature 395, 677–680 (1998).10.1038/27167 ↗
3. Merz, W. J. The electric and optical behavior of BaTiO3 single-domain crystals. Phys. Rev. 76, 1221 (1949).10.1103/PhysRev.76.1221 ↗
4. Streltsov, S. & Khomskii, D. Orbital physics in transition metal compounds: New trends. Phys. Uspekhi 60, 1121 (2017).10.3367/UFNe.2017.08.038196 ↗
5. Cheong, S.-W. & Mostovoy, M. Multiferroics: a magnetic twist for ferroelectricity. Nat. Mater. 6, 13–20 (2007).10.1038/nmat1804 ↗
6. Khomskii, D. Classifying multiferroics: mechanisms and effects. Physics 2, 20 (2009).10.1103/Physics.2.20 ↗
7. Liu, Z. et al. Realization of a half metal with a record-high Curie temperature in perovskite oxides. Adv. Mater. 34, 2200626 (2022).10.1002/adma.202200626 ↗
8. Noda, Y., Ohno, K. & Nakamura, S. Momentum-dependent band spin splitting in semiconducting MnO2: a density functional calculation. Phys. Chem. Chem. Phys. 18, 13294–13303 (2016).10.1039/C5CP07806G ↗
9. Hayami, S., Yanagi, Y. & Kusunose, H. Momentum-dependent spin splitting by collinear antiferromagnetic ordering. J. Phys. Soc. Jpn. 88, 123702 (2019).10.7566/JPSJ.88.123702 ↗
10. Naka, M. et al. Spin current generation in organic antiferromagnets. Nat. Commun. 10, 4305 (2019).10.1038/s41467-019-12229-y ↗
11. Ahn, K.-H., Hariki, A., Lee, K.-W. & Kuneš, J. Antiferromagnetism in RuO2 as D-wave pomeranchuk instability. Phys. Rev. B 99, 184432 (2019).10.1103/PhysRevB.99.184432 ↗
12. Yuan, L.-D., Wang, Z., Luo, J.-W., Rashba, E. I. & Zunger, A. Giant momentum-dependent spin splitting in centrosymmetric low-Z antiferromagnets. Phys. Rev. B 102, 014422 (2020).10.1103/PhysRevB.102.014422 ↗
13. Šmejkal, L., Sinova, J. & Jungwirth, T. Emerging research landscape of altermagnetism. Phys. Rev. X 12, 040501 (2022).
14. Guo, Y. et al. Spin-split collinear antiferromagnets: a large-scale ab-initio study. Mater. Today Phys. 32, 100991 (2023).10.1016/j.mtphys.2023.100991 ↗
15. Song, C. et al. Altermagnets as a new class of functional materials. Nat. Rev. Mater. 10, 473–485 (2025).10.1038/s41578-025-00779-1 ↗
16. Naka, M., Motome, Y. & Seo, H. Perovskite as a spin current generator. Phys. Rev. B 103, 125114 (2021).10.1103/PhysRevB.103.125114 ↗
17. Streltsov, S., Korotin, M., Anisimov, V. & Khomskii, D. Band versus localized electron magnetism in CaCrO3. Phys. Rev. B 78, 054425 (2008).10.1103/PhysRevB.78.054425 ↗
18. Maznichenko, I. V. et al. Fragile altermagnetism and orbital disorder in mott insulator LaTiO3. Phys. Rev. Mat. 8, 064403 (2025).10.1103/PhysRevMaterials.8.064403 ↗
19. Myakotnikov, D. A., Komleva, E. V., Long, Y. & Streltsov, S. V. Importance of the indirect exchange interaction via s states in altermagnetic HgMnO3. Phys. Rev. B 110, 134427 (2024).10.1103/PhysRevB.110.134427 ↗
20. Šmejkal, L., González-Hernández, R., Jungwirth, T. & Sinova, J. Crystal time-reversal symmetry breaking and spontaneous hall effect in collinear antiferromagnets. Sci. Adv. 6, eaaz8809 (2020).10.1126/sciadv.aaz8809 ↗
21. Solovyev, I. V. Magneto-optical effect in the weak ferromagnets LaMO3 (M= Cr, Mn, and Fe). Phys. Rev. B 55, 8060–8063 (1997).10.1103/PhysRevB.55.8060 ↗
22. Hinatsu, Y. Diverse structures of mixed-metal oxides containing rare earths and their magnetic properties. J. Ceram. Soc. Jpn. 123, 845–852 (2015).10.2109/jcersj2.123.845 ↗
23. Nguyen, L. T. & Cava, R. J. Hexagonal perovskites as quantum materials. Chem. Rev. 121, 2935–2965 (2021).10.1021/acs.chemrev.0c00622 ↗
24. Cheong, S.-W. & Huang, F.-T. Altermagnetism classification. npj Quantum Mater. 10, 38 (2025).10.1038/s41535-025-00756-5 ↗
25. Garg, C. et al. Evolution of the structural, magnetic, and electronic properties of the triple perovskite Ba3CoIr2O9. Phys. Rev. B 103, 014437 (2021).10.1103/PhysRevB.103.014437 ↗
26. Gajdoš, M., Hummer, K., Kresse, G., Furthmüller, J. & Bechstedt, F. Linear optical properties in the projector-augmented wave methodology. Phys. Rev. B 73, 045112 (2006).10.1103/PhysRevB.73.045112 ↗
27. Nag, A. et al. Origin of the spin-orbital liquid state in a nearly J=0 iridate Ba3ZnIr2O9. Phys. Rev. Lett. 116, 097205 (2016).10.1103/PhysRevLett.116.097205 ↗
28. Streltsov, S. & Khomskii, D. Orbital-dependent singlet dimers and orbital-selective Peierls transitions in transition-metal compounds. Phys. Rev. B 89, 161112 (2014).10.1103/PhysRevB.89.161112 ↗
29. Khomskii, D. I. & Streltsov, S. V. Magnetic oxides. In Encyclopedia of Condensed Matter Physics 98–111 (Elsevier, 2024).10.1016/B978-0-323-90800-9.00120-7 ↗
30. Ma, H.-Y. et al. Multifunctional antiferromagnetic materials with giant piezomagnetism and noncollinear spin current. Nat. Commun. 12, 2846 (2021).10.1038/s41467-021-23127-7 ↗
31. Kresse, G. & Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 (1996).10.1103/PhysRevB.54.11169 ↗
32. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 78, 1396(E) (1997).10.1103/PhysRevLett.78.1396 ↗
33. Lightfoot, P. & Battle, P. D. The crystal and magnetic structures of Ba3NiRu2O9, Ba3CoRu2O9, and Ba3ZnRu2O9. J. Solid State Chem. 89, 174 (1990).10.1016/0022-4596(90)90309-L ↗
34. Doi, Y., Hinatsu, Y. & Ohoyama, K. Structural and magnetic properties of pseudo-two-dimensional triangular antiferromagnets Ba3MSb2O9 (M = Mn, Co, and Ni). J. Phys. Condens. Matter 16, 8923–8935 (2004).10.1088/0953-8984/16/49/009 ↗
35. Dudarev, S. L., Savrasov, S. Y., Humphreys, C. J. & Sutton, A. P. Electron-energy-loss spectra and the structural stability of nickel oxide: an LSDA+U study. Phys. Rev. B 57, 1505–1509 (1998).10.1103/PhysRevB.57.1505 ↗
36. Streltsov, S. Magnetic moment suppression in Ba3CoRu2O9: hybridization effect. Phys. Rev. B 88, 024429 (2013).10.1103/PhysRevB.88.024429 ↗
37. Muthuselvam, I. et al. Two-step antiferromagnetic transition and moderate triangular frustration in Li2Co(WO4)2. Phys. Rev. B 90, 174430 (2014).10.1103/PhysRevB.90.174430 ↗
38. Terzic, J. et al. Coexisting charge and magnetic orders in the dimer-chain iridate Ba5AlIr2O11. Phys. Rev. B 91, 235147 (2015).10.1103/PhysRevB.91.235147 ↗
39. Zvereva, E. et al. Orbitally induced hierarchy of exchange interactions in the Zigzag antiferromagnetic state of honeycomb silver delafossite Ag3Co2SbO6. Dalton Transact. 45, 7373–7384 (2016).10.1039/C6DT00516K ↗
40. Methfessel, M. & Paxton, A. T. High-precision sampling for Brillouin-zone integration in metals. Phys. Rev. B 40, 3616–3621 (1989).10.1103/PhysRevB.40.3616 ↗
41. Nag, A. et al. Ba3MIr2O9 hexagonal perovskites in the light of spin-orbit coupling and local structural distortions. Phys. Rev. B 97, 064408 (2018).10.1103/PhysRevB.97.064408 ↗
42. Doi, Y. et al. Crystal structures and magnetic properties of the 6H-perovskites Ba3LnRu2O9 (Ln = Ce, Pr and Tb). J. Mater. Chem. 11, 3135–3140 (2001).10.1039/b105134m ↗
43. Doi, Y. et al. Magnetic and calorimetric studies on 6H-perovskite Ba3TbRu2O9. J. Alloy. Compd. 344, 166–169 (2002).10.1016/S0925-8388(02)00333-X ↗