Ab initio phonon structure of h-YMnO3 in low-symmetry ferroelectric phase

Konstantin Z. Rushchanskii; Marjana Ležaić

doi:10.1080/00150193.2012.671116

Ab initio phonon structure of h-YMnO3 in low-symmetry ferroelectric phase

Materials Science 2012-07-30 v1

Authors: Konstantin Z. Rushchanskii , Marjana Ležaić

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Abstract

We present a systematic first-principles study of the phonon spectrum of hexagonal YMnO3 in ferroelectric (multiferroic) phase. We investigated in detail the low-energy phonon modes, their dispersion, symmetry, as well as the infrared optical properties of the crystal and determined the phonon density of states.

Keywords

ab initio phonon spectrum hexagonal YMnO3 ferroelectric phase multiferroic infrared optical properties phonon density of states

Cite

@article{arxiv.1207.6565,
  title  = {Ab initio phonon structure of h-YMnO3 in low-symmetry ferroelectric phase},
  author = {Konstantin Z. Rushchanskii and Marjana Ležaić},
  journal= {arXiv preprint arXiv:1207.6565},
  year   = {2012}
}

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