Vibrational spectroscopy of orthorhombic Cu2ZnSiS4 single crystal: Low-temperature polarized Raman scattering and first principle calculations.

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Title: Vibrational spectroscopy of orthorhombic Cu2ZnSiS4 single crystal: Low-temperature polarized Raman scattering and first principle calculations.
Authors: Valakh, M. Ya.1, Yukhymchuk, V.O.1, Babichuk, I.S.1, Havryliuk, Ye. O.1, Parasyuk, O.V.2, Piskach, L.V.2, Litvinchuk, A.P.3 litvin@central.uh.edu
Source: Vibrational Spectroscopy. Mar2017, Vol. 89, p81-84. 4p.
Subjects: Crystal structure, Stannite, Chemical vapor deposition, Raman scattering, Eigenvalues
Abstract: Single crystals of orthorhombic wurtzstannite Cu 2 ZnSiS 4 (space group Pmn 2 1 or C 2 υ 7 ) were synthesized by the chemical vapor transport method. Lattice dynamics of these crystals is studied experimentally by the low temperature polarized Raman scattering. Mode assignment to the specific lattice eigenmodes is performed based on a detail comparison with the results of density functional lattice dynamics calculations. Good agreement between theoretical and experimental mode frequencies is established. [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
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Abstract:Single crystals of orthorhombic wurtzstannite Cu 2 ZnSiS 4 (space group Pmn 2 1 or C 2 υ 7 ) were synthesized by the chemical vapor transport method. Lattice dynamics of these crystals is studied experimentally by the low temperature polarized Raman scattering. Mode assignment to the specific lattice eigenmodes is performed based on a detail comparison with the results of density functional lattice dynamics calculations. Good agreement between theoretical and experimental mode frequencies is established. [ABSTRACT FROM AUTHOR]
ISSN:09242031
DOI:10.1016/j.vibspec.2017.01.005