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.

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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

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article

Hund’s physics-driven strong correlation in the altermagnet CaCrO3

Rong-Qiang He, Zhong-Yi Lu, Zhenfeng Ouyang, Peng‐Jie Guo
3 links
npj Computational Materials
Advanced Condensed Matter Physics
article

Hund’s physics-driven strong correlation in the altermagnet CaCrO3

Rong-Qiang He, Zhong-Yi Lu, Zhenfeng Ouyang, Peng‐Jie Guo
article en

Abstract

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.

npj Computational Materials
Ningbo University (CN), Renmin University of China (CN)
National Natural Science Foundation of China, Renmin University of China
Advanced Condensed Matter Physics
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