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000022145 084__ $$2WoS$$aMaterials Science, Multidisciplinary
000022145 084__ $$2WoS$$aPhysics, Condensed Matter
000022145 1001_ $$0P:(DE-Juel1)VDB106374$$aRushchanskii, K. Z.$$b0$$uFZJ
000022145 245__ $$aAb initio phonon structure of h-YMnO3 in low-symmetry  ferroelectric phase
000022145 260__ $$aLondon [u.a.]$$bTaylor & Francis$$c2012
000022145 300__ $$a90 - 96
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000022145 440_0 $$02058$$aFerroelectrics$$v426$$x0015-0193$$y1
000022145 500__ $$3POF3_Assignment on 2016-02-29
000022145 500__ $$aFor many fruitful discussions we thank Prof. Dr. Stanislav Kamba and Dr. Ivetta Slipukhina. We gratefully acknowledge the support by the Young Investigators Group Program of the Helmholtz association (Contract VH-NG-409), as well as the support of the Julich Supercomputer Center.
000022145 520__ $$aWe present a systematic first-principles study of the phonon spectrum of hexagonal YMnO3 in ferroelectric (multiferroic) phase. We investigated in detail the low-energy phonon modes, their dispersion, symmetry, as well as the infrared optical properties of the crystal and determined the phonon density of states.
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000022145 8567_ $$uhttp://dx.doi.org/10.1080/00150193.2012.671116
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