Journal Article

PreJuSER-22145

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Ab initio phonon structure of h-YMnO3 in low-symmetry ferroelectric phase

Rushchanskii, K. Z.FZJ* ; Lezaic, M.FZJ*

2012
Taylor & Francis London [u.a.]

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Please use a persistent id in citations: doi:10.1080/00150193.2012.671116

Abstract: 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.

Keyword(s): J

Note: 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.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)
2. Quanten-Theorie der Materialien (IAS-1)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2012

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Database coverage:
; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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