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- Title
Lattice Dynamical Properties and Elastic Constants of the Ternary Chalcopyrite Compounds CuAlS, CuGaS, CuInS, and AgGaS.
- Authors
Kushwaha, A.; Khenata, R.; Bouhemadou, A.; Bin-Omran, S.; Haddadi, K.
- Abstract
Lattice dynamics calculations have been performed for ternary chalcopyrite compounds CuAlS, CuGaS, CuInS, and AgGaS using the proposed theoretical model. This model is applied to study the zone-centre (GAMMA = 0) phonon frequencies of CuAlS, CuGaS, CuInS, and AgGaS. The interatomic interactions up to third nearest neighbours were calculated. The calculated zone-centre phonon frequencies are found to be in very good agreement with observed and previous calculated data available in the literature. Single crystal elastic constants and related properties for these materials were also calculated and compared with the available data in the scientific literature.
- Subjects
LATTICE dynamics; CRYSTAL lattices; CHALCOPYRITE; COPPER ores; PHONONS
- Publication
Journal of Electronic Materials, 2017, Vol 46, Issue 7, p4109
- ISSN
0361-5235
- Publication type
Article
- DOI
10.1007/s11664-017-5290-6