English

Spin and orbital ordering in bilayer Sr$_3$Cr$_2$O$_7$

Strongly Correlated Electrons 2019-06-05 v2

Abstract

Using maximally localized Wannier functions obtained from DFT calculations, we derive an effective Hubbard Hamiltonian for a bilayer of Sr3_3Cr2_2O7_7, the n=2n=2 member of the Ruddlesden-Popper Srn+1_{n+1}Crn_nO3n+1_{3n+1} system. The model consists of effective t2gt_{2g} orbitals of Cr in two square lattices, one above the other. The model is further reduced at low energies and two electrons per site, to an effective Kugel-Khomskii Hamiltonian that describes interacting spins 1 and pseudospins 1/2 at each site describing spin and orbitals degrees of freedom respectively. We solve this Hamiltonian at zero temperature using pseudospin bond operators and spin waves. Our results confirm a previous experimental and theoretical study that proposes spin ordering antiferromagnetic in the planes and ferromagnetic between planes, while pseudospins form vertical singlets, although the interplane separation is larger than the nearest-neighbor distance in the plane. We explain the physics behind this rather unexpected behavior.

Keywords

Cite

@article{arxiv.1811.12749,
  title  = {Spin and orbital ordering in bilayer Sr$_3$Cr$_2$O$_7$},
  author = {A. A. Aligia and C. Helman},
  journal= {arXiv preprint arXiv:1811.12749},
  year   = {2019}
}

Comments

9 pages, 5 figures, information on Cr-O covalency added, accepted in Phys. Rev. B