Crystal Research and Technology · 2000 · 14 citations · 5 references
EngineeringTo Phonon ModesInteraction ConstantComputational ChemistryChemistryForce ConstantsElectronic StructureQuantum MaterialsLattice DynamicsMaterials ScienceMolecular SolidPhysicsCrystal MaterialPhysical ChemistryQuantum ChemistryCrystallographySolid-state PhysicCrystal Structure DesignTransition Metal ChalcogenidesNatural SciencesApplied PhysicsCondensed Matter PhysicsPhononChemical ThermodynamicsIon Structure
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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