Phonons in SiAs: Raman scattering study and DFT calculations | Zendy

Kutzner Jürgen | Zendy; Kortus Jens | Zendy; Pätzold Olf | Zendy; Wunderwald Ulrike | Zendy; Irmer Gert | Zendy

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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.

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