Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2009-12-11
Physics
Condensed Matter
Strongly Correlated Electrons
5 pages, 2 figures
Scientific paper
We examine magnon and orbiton behavior in localized O$_2$ anti-bonding molecular $\pi^*$ 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.
Pickett Warren E.
Singh Rajiv R. P.
Ylvisaker Erik R.
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