Rb<sub>3</sub>Na(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·3H<sub>2</sub>O with Large Birefringence
Mukeremu Aibibula (8123660)Li Wang (15202)Shuzhao Huang (8123663)
Abstract
A mixed alkali-metal nonlinear optical (NLO) dihydro-cyanurate\ncrystal Rb<sub>3</sub>Na(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·3H<sub>2</sub>O has been synthesized via\nthe hydrothermal method. Its calculated birefringence is about 0.368,\nwhich is very large, its ultraviolet (UV) cutoff edge is down to 230\nnm, and the powder second harmonic generation (SHG) intensity is about\n0.2 × KDP. In addition, a first-principles investigation of the\nelectronic properties on Rb<sub>3</sub>Na(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·3H<sub>2</sub>O was\ncarried out. The calculated band gap and SHG coefficient values agree\nwell with the experimental ones. These results suggest that it could\nbe applied as a UV birefringent material.
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