2000
DOI: 10.1002/1521-4079(200005)35:5<569::aid-crat569>3.0.co;2-a
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Lattice Dynamics of Chalcopyrite Type Compounds Part IV. Calculations of TO Phonon Modes in a Reduced Rigid Ion Model

Abstract: The lattice dynamics of 12 chalcopyrite type compounds CuAlS2, CuGaS2, CuInS2, AgGaS2, AgGaSe2, AgInSe2, ZnSiP2, ZnGeP2, CdSiP2, CdGeP2, CdSnP2, and CdGeAs2 have been investigated based on a 5‐parameter model involving two short range stretching force constants, an interaction constant, and the effective dynamic charges of the cations. The calculated force constants, normal co‐ordinates and potential energy distributions are compiled and discussed.

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Cited by 14 publications
(3 citation statements)
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“…By comparing our results with theoretical calculations and previously reported experimental observations, we have identified some deviations from the commonly observed features. The indicated modes (A 1 and B 2 ) are slightly shifted to lower frequencies than those reported for bulk AgInSe 2 [19][20][21]. This shift could arise from structural differences between thin films and bulk crystalline AgInSe 2 .…”
Section: Structural and Chemical Properties Of The Aginse 2 Films On ...mentioning
confidence: 68%
“…By comparing our results with theoretical calculations and previously reported experimental observations, we have identified some deviations from the commonly observed features. The indicated modes (A 1 and B 2 ) are slightly shifted to lower frequencies than those reported for bulk AgInSe 2 [19][20][21]. This shift could arise from structural differences between thin films and bulk crystalline AgInSe 2 .…”
Section: Structural and Chemical Properties Of The Aginse 2 Films On ...mentioning
confidence: 68%
“…It is not possible to identify unequivocally these vibrations but they could relate to the modes at 275, 263, 171, and 165 cm −1 . According to observations of chalcopyrite‐like compounds given by Ohrendorf and Haeuseler, it is possible to observe vibrations of Cu–S bonds in the region 250–300 cm −1 . Unfortunately, clear assignment of possible vibrations of Cu–S or Cu–Se bonds in sulfosalts or corresponding selenides have not been published yet.…”
Section: Resultsmentioning
confidence: 94%
“…LISe is a nonlinear chalcogenide biaxial orthorhombic crystal with high optical quality [4]. It belongs to LiB III C IV 2 family compounds, which exhibit a tetrahedral lattice structure [5]. The structural and electronic properties of LISe have been reported previously [6,7].…”
Section: Introductionmentioning
confidence: 99%