TY - JOUR
T1 - Structural Polymorphism in 'Kesterite' Cu2ZnSnS4: Raman Spectroscopy and First-Principles Calculations Analysis
AU - Dimitrievska, Mirjana
AU - Boero, Federica
AU - Litvinchuk, Alexander
AU - Delsante, Simona
AU - Borzone, Gabriella
AU - Perez-Rodriguez, Alejandro
AU - Izquierdo-Roca, Victor
PY - 2017
Y1 - 2017
N2 - This work presents detailed structural and vibrational characterization of different Cu2ZnSnS4 (CZTS) polymorphs (space groups: I4-, P4-2c, and P4-2m), using Raman spectroscopy and first-principles calculations. Multiwavelength Raman measurements on bulk crystalline CZTS samples permitted determination of the vibrational modes of each polymorph structure, with frequencies matching well with the results obtained from simulations. The results present Raman spectra fingerprints as well as experimental references for the different polymorph modifications.
AB - This work presents detailed structural and vibrational characterization of different Cu2ZnSnS4 (CZTS) polymorphs (space groups: I4-, P4-2c, and P4-2m), using Raman spectroscopy and first-principles calculations. Multiwavelength Raman measurements on bulk crystalline CZTS samples permitted determination of the vibrational modes of each polymorph structure, with frequencies matching well with the results obtained from simulations. The results present Raman spectra fingerprints as well as experimental references for the different polymorph modifications.
KW - kesterite
KW - polymorphs
KW - structural properties
KW - vibrational properties
U2 - 10.1021/acs.inorgchem.6b03008
DO - 10.1021/acs.inorgchem.6b03008
M3 - Article
SN - 0020-1669
VL - 56
SP - 3467
EP - 3474
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 6
ER -