TY  - JOUR
AU  - Rushchanskii, K. Z.
AU  - Lezaic, M.
TI  - Ab initio phonon structure of h-YMnO3 in low-symmetry  ferroelectric phase
JO  - Ferroelectrics
VL  - 426
SN  - 0015-0193
CY  - London [u.a.]
PB  - Taylor & Francis
M1  - PreJuSER-22145
SP  - 90 - 96
PY  - 2012
N1  - 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.
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000304266300015
DO  - DOI:10.1080/00150193.2012.671116
UR  - https://juser.fz-juelich.de/record/22145
ER  -