English

Dielectric properties and spin-phonon coupling in multiferroic double perovskite Bi$_2$CoMnO$_6$

Materials Science 2010-10-25 v2 Strongly Correlated Electrons

Abstract

First-principles electronic structure calculations have been performed for the double perovskite Bi2_2CoMnO6_6 in its non-centrosymmetric polar state using generalized gradient approximation plus Hubbard U approach. We find that while Co is in a high spin state, Mn is in an intermediate spin state. The calculated dynamical charge tensors are anisotropic reflecting a low-symmetry structure of the compound. Magnetic structure dependent phonon frequencies indicate the presence of spin-phonon coupling. Using Berry phase method, we obtain a spontaneous electronic polarization of 5.88 μC/cm2{\mu}C/cm^2 which is close to the experimental value observed for a similar compound, Bi2_2NiMnO6_6.

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@article{arxiv.1001.0128,
  title  = {Dielectric properties and spin-phonon coupling in multiferroic double perovskite Bi$_2$CoMnO$_6$},
  author = {Satadeep Bhattacharjee and Olle Eriksson and Biplab Sanyal},
  journal= {arXiv preprint arXiv:1001.0128},
  year   = {2010}
}

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