Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence | Zendy

Mukeremu Aibibula | Zendy; Li Wang | Zendy; Shuzhao Huang | Zendy

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Rb₃Na(H₂C₃N₃O₃)₄·3H₂O with Large Birefringence

Author(s) -

Mukeremu Aibibula,

Li Wang,

Shuzhao Huang

Publication year - 2019

Publication title -

acs omega

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.779

H-Index - 40

ISSN - 2470-1343

DOI - 10.1021/acsomega.9b03490

Subject(s) - birefringence , materials science , band gap , alkali metal , crystal (programming language) , ultraviolet , second harmonic generation , nonlinear optical , intensity (physics) , analytical chemistry (journal) , optics , crystallography , chemistry , physics , optoelectronics , nonlinear system , laser , organic chemistry , chromatography , computer science , programming language , quantum mechanics

A mixed alkali-metal nonlinear optical (NLO) dihydro-cyanurate crystal Rb 3 Na(H 2 C 3 N 3 O 3 ) 4 ·3H 2 O has been synthesized via the hydrothermal method. Its calculated birefringence is about 0.368, which is very large, its ultraviolet (UV) cutoff edge is down to 230 nm, and the powder second harmonic generation (SHG) intensity is about 0.2 × KDP. In addition, a first-principles investigation of the electronic properties on Rb 3 Na(H 2 C 3 N 3 O 3 ) 4 ·3H 2 O was carried out. The calculated band gap and SHG coefficient values agree well with the experimental ones. These results suggest that it could be applied as a UV birefringent material.

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