1207.6565 (Konstantin Z. Rushchanskii et al.)

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

Konstantin Z. Rushchanskii, Marjana Ležaić

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.

View original: http://arxiv.org/abs/1207.6565