English

Orbital order, stacking defects and spin-fluctuations in the $p$-electron molecular solid RbO$_2$

Strongly Correlated Electrons 2013-05-29 v2

Abstract

We examine magnon and orbiton behavior in localized O2_2 anti-bonding molecular π\pi^* orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model with hopping parameters taken from {\em ab initio} density functional calculations. The considerable difference between intraband and interband hoppings leads to a strong coupling between the spin wave dispersion and the orbital ground state, providing a straightforward way of experimentally determining the orbital ground state from the measured magnon dispersion. The near degeneracy of different orbital ordered states leads to stacking defects which further modulate spin-fluctuation spectra. Proliferation of orbital domains disrupts long-range magnetic order, thus causing a significant reduction in the observed N\'eel temperature.

Keywords

Cite

@article{arxiv.0912.2334,
  title  = {Orbital order, stacking defects and spin-fluctuations in the $p$-electron molecular solid RbO$_2$},
  author = {E. R. Ylvisaker and R. R. P. Singh and W. E. Pickett},
  journal= {arXiv preprint arXiv:0912.2334},
  year   = {2013}
}

Comments

5 pages, 2 figures

R2 v1 2026-06-21T14:22:53.529Z