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- Title
Design of the Ionic Organic Nonlinear Optical Material NH<sub>4</sub>[LiC<sub>3</sub>H(CH<sub>3</sub>)O<sub>4</sub>] with Ultrawide Band Gap and Moderate Birefringence.
- Authors
Tian, Haotian; Lin, Chensheng; Zhou, Yuqiao; Zhao, Xin; Fan, Huixin; Yan, Tao; Ye, Ning; Luo, Min
- Abstract
Ionic organic crystals containing organic planar π‐conjugated units has become one of the hot spots as nonlinear optical (NLO) materials. However, although this type of ionic organic NLO crystals commonly have remarkable second harmonic generation (SHG) responses, they also suffer from overlarge birefringences and relatively small band gaps that be hardly beyond 6.2 eV. Herein, a flexible π‐conjugated [C3H(CH3)O4]2− unit was theoretically revealed, showing great potential for designing NLO crystals with balanced optical properties. Accordingly, through the reasonable NLO‐favourable layered design, a new ionic organic material, NH4[LiC3H(CH3)O4], was successfully obtained. As expected, it achieves not only a large SHG effect (4×KDP), but also a suitable birefringence (0.06@546 nm) and an ultrawide band gap (>6.5 eV). This study provides a new flexible π‐conjugated NLO‐active unit, contributing to design more ionic organic NLO materials with excellent balanced optical properties.
- Subjects
NONLINEAR optical materials; BAND gaps; CRYSTAL optics; CONJUGATED polymers; SECOND harmonic generation; PHOTONIC crystal fibers; IONIC crystals; BIREFRINGENCE
- Publication
Angewandte Chemie, 2023, Vol 135, Issue 29, p1
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.202304858