Hauptseite > Publikationsdatenbank > Ab initio phonon structure of h-YMnO3 in low-symmetry ferroelectric phase > print

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|a Materials Science, Multidisciplinary
084 _ _ |2 WoS
|a Physics, Condensed Matter
100 1 _ |0 P:(DE-Juel1)VDB106374
|a Rushchanskii, K. Z.
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245 _ _ |a Ab initio phonon structure of h-YMnO3 in low-symmetry ferroelectric phase
260 _ _ |a London [u.a.]
|b Taylor & Francis
|c 2012
300 _ _ |a 90 - 96
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440 _ 0 |0 2058
|a Ferroelectrics
|v 426
|x 0015-0193
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500 _ _ |3 POF3_Assignment on 2016-02-29
500 _ _ |a For 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.
520 _ _ |a 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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856 7 _ |u http://dx.doi.org/10.1080/00150193.2012.671116
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