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September 10, 2025Inorganic Chemistry

From Centrosymmetric Eu2Ga2S5 to Noncentrosymmetric EuMg6Ga6S16 via Introduction of Distorted MgS6 Octahedron: Featuring Wide Bandgap and Nonlinear Optical Activity

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Authors

QDQiu-Yang DuWYWen‐Dong YaoXNXin‐Long Ni

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Overview

This work reveals a centrosymmetric to noncentrosymmetric change in Eu-based chalcogenides, indicating enhanced optical activity.

Key Points

  • Novel euMg6Ga6S16 exhibits significant nonlinear optical response and the widest optical band gap among Eu-based materials.
  • The introduction of distorted [MgS6] octahedra is key to achieving noncentrosymmetric structures that enhance properties.
  • Theoretical calculations attribute the optical characteristics primarily to distorted [MgS6] units in the structure.
  • The study enhances understanding of infrared nonlinear optical chalcogenides, paving the way for new material designs.

Cite This Study

Du et al. (2025) studied this question.

synapsesocial.com/papers/68c1d01a54b1d3bfb60f604ahttps://doi.org/10.1021/acs.inorgchem.5c03507
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