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, Vol. 70 (2009), No. 4, pp. 443 - 447
2009article/chapter in journal
ChemistryFaculty of Chemistry
Title:
Far IR spectra of Ag2CdI4 at temperature range 10–420 K: complementary experimental and first-principle theoretical study
Author:
Karbovnyk, Ivan;Piskunov, Sergej;Bolesta, I.;Bellucci, S.;Cestelli Guidi, M.;Piccinini, M.;Spohr, EckhardUDE
GND
143257005
LSF ID
49123
ORCID
0000-0001-8148-7575ORCID iD
Other
connected with university
;Popov, A.I.
Year of publication:
2009
WWW URL:
http://www.springerlink.com/content/g71w0747u4053617/fulltext.pdf
Appears in
The European physical journal, : B, Condensed matter and complex systems
in:
Vol. 70 (2009), No. 4, pp. 443 - 447

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.