Photoinduced orbital polarization and Jahn-Teller effect in RNiO$_3$
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 NiO 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 - transitions reduce the local magnetic moments at Ni sites and effectively suppress Hund's coupling in the excited state. Importantly, these transitions can be made strongly orbital-selective by tuning the light polarization, leading to an imbalance in orbital occupancies. The resulting nonequilibrium state, characterized by reduced effective 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