Noncentrosymmetric Sulfide Oxide MZnSO (M = Ca or Sr) with Strongly Polar Structure as Novel Nonlinear Crystals

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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Bibliographic Details
Main Authors: Reshak, Ali H., Abbass, Nada M., Bila, Jiri, Johan, Mohd Rafie, Kityk, Ivan
Format: Article
Published: American Chemical Society 2019
Subjects:
QC Physics
TK Electrical engineering. Electronics Nuclear engineering
Online Access:http://eprints.um.edu.my/23652/
https://doi.org/10.1021/acs.jpcc.9b08766
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Institution: Universiti Malaya

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http://eprints.um.edu.my/23652/
https://doi.org/10.1021/acs.jpcc.9b08766

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