English

Hund's coupling driven nature of magnetism in negative charge transfer material, $\mathrm{SrCoO_3}$

Strongly Correlated Electrons 2025-12-16 v1

Abstract

In this work, we investigate the microscopic origin of magnetism in SrCoO3\mathrm{SrCoO_3} by incorporating electronic correlations within the dynamical mean-field theory (DMFT) framework. We note a remarkable agreement of the calculated magnetic observables ( saturation magnetization \sim2.4 μB\mu_B; magnetic transition temperature, TcT_c\sim350 K) with the experimental results. The system exhibits Hund's coupling-induced strong quasiparticle mass enhancements of upto m/mm^*/m \sim7 for Co 3dd states, with the largest renormalization occurring in the majority spin t2gt_{2g} orbitals, marking the onset of orbital-selectivity. Our results reveal a Stoner-likelike collapse of exchange splitting that drives the loss of long-range ferromagnetic order at TcT_c. The breakdown of Fermi-liquid behavior down to TT\sim100 K suggests a suppressed coherence scale. Local magnetic moment originates from a mixed-spin configuration formed through dynamical fluctuation between intermediate-spin and high-spin states. Large charge fluctuations (\langleΔ\DeltaN2^2\rangle\sim0.6) together with heavy quasiparticles establish the correlation effects regime, governed predominantly by Hund's physics in SrCoO3\mathrm{SrCoO_3}.

Keywords

Cite

@article{arxiv.2512.12808,
  title  = {Hund's coupling driven nature of magnetism in negative charge transfer material, $\mathrm{SrCoO_3}$},
  author = {Jyotsana Sharma and Shivani Bhardwaj and Sudhir K Pandey},
  journal= {arXiv preprint arXiv:2512.12808},
  year   = {2025}
}