Far IR spectra of Ag 2CdI 4 at temperature range 10-420 K: Complementary experimental and first-principle theoretical study

I. Karbovnyk; S. Piskunov; I. Bolesta; S. Bellucci; M. Cestelli Guidi; M. Piccinini; E. Spohr; A. I. Popov

doi:10.1140/epjb/e2009-00242-0

Far IR spectra of Ag ₂CdI ₄ at temperature range 10-420 K: Complementary experimental and first-principle theoretical study

I. Karbovnyk
, S. Piskunov^*
, I. Bolesta
, S. Bellucci
, M. Cestelli Guidi
, M. Piccinini
, E. Spohr
, A. I. Popov

^*Corresponding author for this work

Laboratory of Computer Modeling of Electronic Structure of Solids, Institute of Solid State Physics
Laboratory of Kinetics in Self-Organizing Systems, Institute of Solid State Physics

Ivan Franko National University of L'viv
University of Duisburg-Essen
National Institute for Nuclear Physics
Institut Laue-Langevin

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

The influence of temperature on the far-infrared (FIR) spectrum of polycrystalline Ag ₂CdI ₄ 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.

Original language	English
Pages (from-to)	443-447
Number of pages	5
Journal	European Physical Journal B
Volume	70
Issue number	4
DOIs	https://doi.org/10.1140/epjb/e2009-00242-0
Publication status	Published - Aug 2009

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title = "Far IR spectra of Ag 2CdI 4 at temperature range 10-420 K: Complementary experimental and first-principle theoretical study",

abstract = "The influence of temperature on the far-infrared (FIR) spectrum of polycrystalline Ag 2CdI 4 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.",

author = "I. Karbovnyk and S. Piskunov and I. Bolesta and S. Bellucci and Guidi, \{M. Cestelli\} and M. Piccinini and E. Spohr and Popov, \{A. I.\}",

year = "2009",

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volume = "70",

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T1 - Far IR spectra of Ag 2CdI 4 at temperature range 10-420 K

T2 - Complementary experimental and first-principle theoretical study

AU - Karbovnyk, I.

AU - Piskunov, S.

AU - Bolesta, I.

AU - Bellucci, S.

AU - Guidi, M. Cestelli

AU - Piccinini, M.

AU - Spohr, E.

AU - Popov, A. I.

PY - 2009/8

Y1 - 2009/8

N2 - The influence of temperature on the far-infrared (FIR) spectrum of polycrystalline Ag 2CdI 4 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.

AB - The influence of temperature on the far-infrared (FIR) spectrum of polycrystalline Ag 2CdI 4 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.

UR - https://www.scopus.com/pages/publications/69549088143

U2 - 10.1140/epjb/e2009-00242-0

DO - 10.1140/epjb/e2009-00242-0

M3 - Article

AN - SCOPUS:69549088143

SN - 1434-6028

VL - 70

SP - 443

EP - 447

JO - European Physical Journal B

JF - European Physical Journal B

IS - 4

ER -

Far IR spectra of Ag ₂CdI ₄ at temperature range 10-420 K: Complementary experimental and first-principle theoretical study

Abstract

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