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Crystal structure and vibrational properties of Cu 2 ZnSiSe 4 quaternary semiconductor
Author(s) -
Litvinchuk A. P.,
Dzhagan V. M.,
Yukhymchuk V. O.,
Valakh M. Ya.,
Parasyuk O. V.,
Piskach L. V.,
Wang X.,
Jacobson A. J.,
Zahn D. R. T.
Publication year - 2016
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201600175
Subject(s) - orthorhombic crystal system , raman spectroscopy , semiconductor , raman scattering , crystal structure , molecular vibration , spectral line , materials science , molecular physics , lattice (music) , diffraction , scattering , polarization (electrochemistry) , crystal (programming language) , chemistry , condensed matter physics , crystallography , optics , physics , optoelectronics , programming language , astronomy , computer science , acoustics
The crystal structure of Cu2 ZnSiSe4 semiconductor, grown by the chemical vapor transport method, was determined by the powder and single‐crystal X‐ray diffraction and shown to be orthorhombic wurtzstannite (space group P mn 21 ). Lattice dynamics of Cu2 ZnSiSe4 is studied by the low‐temperature off‐resonant polarized and resonant Raman scattering. Out of the total 45 optical vibrational modes allowed by the symmetry, 37 are observed in the spectra and are assigned to the specific lattice eigenmodes based on their polarization properties and a comparison of frequencies with the results of density functional lattice dynamics calculations. Good agreement between theoretical and experimental mode frequencies is established. The vibrational patterns for the most intense spectral lines in experimental spectra as well as pronounced resonant enhancement of Si‐related modes are discussed.