Piezoelectric nonlinear optic CuGaSe2 and CdGeAs2: Crystal structure, chalcopyrite microhardness, and sublattice distortion

作者: S. C. Abrahams , J. L. Bernstein

DOI: 10.1063/1.1681987

关键词: Least squaresCrystal structureCrystallographyLattice constantAnisotropyPiezoelectricityMaterials scienceChalcopyriteDistortion (mathematics)Tetragonal crystal system

摘要: CuGaSe2 and CdGeAs2 crystallize in the chalcopyrite‐type structure. The lattice constants of tetragonal are a = 5.5963 ± 0.0001 c 11.0036 0.0002 A at 298 °K, those 5.9432 11.2163 0.0003 298°K. space group is I42d with four formulas unit cell. 1747 reflections were measured PEXRAD for 1892 using MoKα x radiation. Least squares refinement structural parameters 149 symmetry‐independent 300 structure factors led to final agreement 0.035 0.038, respectively. slightly Cu deficient: value coordinate model 0.2431 0.0002, considerable vibrational anisotropy. stoichiometric: has 0.2785 also significant anisotropy, but less than that CuGaSe2. two compounds confirm pattern sublattice distortion AIBIIIC2VI AIIBIVC2V chalcopyrites previously found. The...

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