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Phonons in SiAs: Raman scattering study and DFT calculations
Author(s) -
Kutzner Jürgen,
Kortus Jens,
Pätzold Olf,
Wunderwald Ulrike,
Irmer Gert
Publication year - 2011
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.2976
Subject(s) - monoclinic crystal system , orthorhombic crystal system , raman spectroscopy , raman scattering , density functional theory , phonon , crystallography , crystal (programming language) , x ray raman scattering , crystal structure , chemistry , molecular physics , materials science , condensed matter physics , computational chemistry , physics , optics , computer science , programming language
We present experimental Raman scattering results on single‐crystal silicon monoarsenide (SiAs). Based on a comparison between Raman measurements and first‐principles density functional theory calculations, we found evidence that SiAs will occur in a monoclinic crystal structure rather than an orthorhombic one as has been discussed in the literature. Further, we provide a detailed discussion of the vibrational properties of the monoclinic structure. Copyright © 2011 John Wiley & Sons, Ltd.