English

Photoinduced orbital polarization and Jahn-Teller effect in RNiO$_3$

Strongly Correlated Electrons 2026-04-22 v2

Abstract

The orbital degree of freedom in rare-earth nickelates is typically inactive across the temperature-driven metal-insulator transition, where the system develops two inequivalent Ni sites associated with Ni-O bond disproportionation and breathing-mode distortions of NiO6_6 octahedra. Here, we show that orbital polarization can be induced by optical excitation with linearly polarized light. Using an interacting multiband tight-binding model combined with real-time simulations of coupled electron-ion-spin dynamics, we find that photoinduced dd-dd transitions reduce the local magnetic moments at Ni sites and effectively suppress Hund's coupling JJ in the excited state. Importantly, these transitions can be made strongly orbital-selective by tuning the light polarization, leading to an imbalance in ege_g orbital occupancies. The resulting nonequilibrium state, characterized by reduced effective JJ and unequal orbital populations, becomes unstable toward Jahn-Teller (JT) distortions, driving structural relaxation along coherently excited JT modes. Our results demonstrate that polarization-controlled optical excitation provides a pathway to access hidden nonthermal phases with emergent orbital order, enabling coherent control of coupled charge, spin, and lattice degrees of freedom on ultrafast timescales.

Keywords

Cite

@article{arxiv.2604.18524,
  title  = {Photoinduced orbital polarization and Jahn-Teller effect in RNiO$_3$},
  author = {Sangeeta Rajpurohit and Sheikh Rubaiat Ul Haque and Aaron M. Lindenberg and Peter E. Blöchl and Tadashi Ogitsu},
  journal= {arXiv preprint arXiv:2604.18524},
  year   = {2026}
}

Comments

5 pages, 4 figures