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Orbital-Selective Mott Transition and Correlation-Amplified Charge Ordering in the Altermagnet CsCr$_2$S$_2$O

Strongly Correlated Electrons 2026-07-30 v1 Materials Science

Abstract

Altermagnet CsCr2_2S2_2O undergoes a Verwey-type metal-to-insulator transition (MIT) driven by lattice distortion and a stripe charge order on the Cr sublattice, reminiscent of the physics in Fe3_3O4_4. However, atomic distortions occur exclusively at the ligand sites rather than the Cr sites. What drives such a pronounced charge imbalance between Cr sites thus remains a mystery. Utilizing DFT+DMFT calculations, we identify an orbital-selective Mott transition, which leaves the correlated metallic dyzd_{yz} orbital governing the low-energy physics. We demonstrate that S-site distortions trigger an initial, tiny charge asymmetry between Cr sites via Cr-dyzd_{yz} and S-pp orbital hybridization. Crucially, this asymmetry is significantly amplified by dynamical electronic correlations, resulting in a large discrepancy in both the charge and electron correlations of the Cr-dyzd_{yz} orbital between distinct Cr sites. This further induces a substantial differentiation in local spin polarizations in the altermagnetic state, ultimately driving the MIT. In contrast, we predict that replacing S with Te weakens this correlation-amplification effect and fails to induce an MIT due to weaker electron correlations. Our findings demonstrate that many-body effects can drastically amplify ligand instabilities to reshape the electronic structure of altermagnets, highlighting that ligand engineering is of paramount importance for realizing robust metallic altermagnetism.

Keywords

Cite

@article{arxiv.2607.28029,
  title  = {Orbital-Selective Mott Transition and Correlation-Amplified Charge Ordering in the Altermagnet CsCr$_2$S$_2$O},
  author = {Xiuhua Chen and Yilin Wang},
  journal= {arXiv preprint arXiv:2607.28029},
  year   = {2026}
}

Comments

5 pages, 4 figures