Noncentrosymmetric Sulfide Oxide MZnSO (M = Ca or Sr) with Strongly Polar Structure as Novel Nonlinear Crystals
We performed a comprehensive ab inito calculation to investigate the influence of substitution of Ca2+ (180 pm) by larger Sr2+ (200 pm) in MZnSO (M = Ca or Sr) on the structural properties and, hence, on the linear and nonlinear optical properties. The substitution of Ca2+ by Sr2+ in MZnSO causes a...
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| Main Authors: | , , , , |
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| Format: | Article |
| Published: |
American Chemical Society
2019
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/23652/ https://doi.org/10.1021/acs.jpcc.9b08766 |
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