Karbovnyk, Ivan; Piskunov, Sergej; Bolesta, I.; Bellucci, S.; Cestelli Guidi, M.; Piccinini, M.; Spohr, Eckhard; Popov, A.I.:

Far IR spectra of Ag2CdI4 at temperature range 10–420 K: complementary experimental and first-principle theoretical study

In: The European physical journal, : B, Condensed matter and complex systems, Jg. 70 (2009) ; Nr. 4, S. 443-447
Zeitschriftenaufsatz / Fach: Chemie
Fakultät für Chemie
Abstract:
The influence of temperature on the far-infrared (FIR) spectrum of polycrystalline Ag2CdI4 has been investigated by Fourier Transform Infrared (FTIR) spectroscopy measurements. The FIR phonon spectrum has also been calculated by means of quantum mechanical density functional theory (DFT). The comparison of calculated and measured spectra allows the fast and reliable assignment of the measured phonon modes, and thus clarifies the mode splitting character obtained at elevated temperatures.

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