Hund’s physics-driven strong correlation in the altermagnet CaCrO3
Altermagnetism has attracted intense interest, but strong correlation effects in altermagnets remain largely unexplored. Here, using density functional theory plus dynamical mean-field theory (DFT + DMFT), we identify CaCrO 3 , a rare example of a correlated metallic altermagnet with substantial Hund’s coupling. We show that Hundness leads to incoherent metallicity with altermagnetic spin splitting and sustains local spin moments. The DFT + DMFT-calculated magnetic moment (~ 1.3 µ B /Cr) is in quantitative agreement with neutron diffraction (~ 1.2 µ B /Cr), while conventional DFT + U predicts an insulating state instead. Furthermore, Hundness promotes incipient flat bands and gives rise to heavy-fermion-like behavior in this 3 d system, with effective mass enhancement m * / m ~ 47. This work demonstrates DFT + DMFT as a reliable computational tool for studying strongly correlated altermagnets and highlights the importance of Hund’s physics in these emerging materials.
Authors
- Rong-Qiang He (ORCID: https://orcid.org/0000-0003-4297-2329)
- Zhong-Yi Lu (ORCID: https://orcid.org/0000-0001-8866-3180)
- Zhenfeng Ouyang (ORCID: https://orcid.org/0009-0008-7144-4705)
- Peng‐Jie Guo (ORCID: https://orcid.org/0000-0003-2705-612X)
Institutions
- Ningbo University (CN)
- Renmin University of China (CN)
Publication Details
- Journal
- npj Computational Materials
- Published
- 2026-11-11
- DOI
- https://doi.org/10.1038/s41524-026-02392-4
- Primary Topic
- Advanced Condensed Matter Physics
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Renmin University of China