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

Konstantin Z. Rushchanskii; Marjana Le\v{z}ai\'c

arxiv: 1207.6565 · v1 · pith:AC64BJ5Mnew · submitted 2012-07-27 · ❄️ cond-mat.mtrl-sci

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

Konstantin Z. Rushchanskii , Marjana Le\v{z}ai\'c This is my paper

classification ❄️ cond-mat.mtrl-sci

keywords phononferroelectricphasecrystaldensitydetaildetermineddispersion

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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.

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

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