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Structural study and Raman scattering analysis of Cu2ZnSiTe4 bulk crystals

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Abstract

Bulk crystals of Cu2ZnSiTe4 (CZSiTe) have been prepared by modified Bridgman method and have been investigated by single crystal X-ray method, Energy Dispersive X-Ray analysis and Raman scattering techniques. The structural studies revealed that the CZSiTe compounds crystallizes in the tetragonal space group I4¯2m, with a = b = 5.9612(1) Å and c = 11.7887(4) Å at 293 K. The Raman spectrum characteristic of the crystals exhibits nine peaks, with two dominant peaks at approximately 134 cm−1 and 151 cm−1 that can be used as fingerprint peaks for the identification of this compound. The Raman peaks were analyzed on the basis of the derived irreducible representation for the zone center phonons and by comparison with experimental and theoretical data from close related semiconductors as Cu2FeSnS4 and Cu2ZnSnSe4.

© 2014 Optical Society of America

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Figures (2)

Fig. 1
Fig. 1 The crystal structure of CZSiTe.
Fig. 2
Fig. 2 Fitting (red line) of CZSiTe Raman spectra (black line) with Lorentzian curves (green line). The breaks in the intensity scale were done to show better the low intensity peaks. The untreated Raman spectrum of CZSiTe crystal is shown in the inset.

Tables (4)

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Table 1 Results of Refinement and Experimental Details of X-ray Measurements.

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Table 2 Atomic Coordinatesa and Equivalent Isotropic Displacement Parametersb.

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Table 3 Irreducible Representations for Atoms of Tetragonal CZSiTe.

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Table 4 Proposed Symmetry Assignment of Raman Active Modes in CZSiTe Compound.

Equations (1)

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ν VI ( 2( α IVI + α IIIVI ) M VI ) 1/2 ,
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