Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 21st October 2020 from 07:00 AM to 07:00 PM (BST).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 24, 2019
Previous Article Next Article

Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges

Author affiliations

Abstract

Two noncentrosymmetric alkali calcium borates KCa4(BO3)3 and K0.59Rb0.41Ca4(BO3)3 were synthesized by the high temperature solution method. They both crystallize in the polar space group Ama2 (No. 40). According to our investigation, KCa4(BO3)3 is the only potassium calcium borate and K0.59Rb0.41Ca4(BO3)3 is the first potassium rubidium calcium borate. Two borates both exhibit deep-UV cutoff edges (<200 nm) and moderate second harmonic generation (SHG) responses. In this paper, the detailed summaries of B–O connection styles in the disorder-free alkali- and alkaline-earth-metal borates have been discussed. Relationships between metal cations and boron atoms are studied. In addition, the optical and thermal property characterization of the two borates was systematically studied. To better understand the structure–property relationships, ab initio density functional theory was employed for the calculation of the optical refractive indices, birefringence and SHG coefficients. Additionally, the SHG density method was used to further explore the spatial distribution of the electronic states dominating the NLO activity.

Graphical abstract: Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges

Back to tab navigation

Supplementary files

Article information


Submitted
01 Apr 2019
Accepted
04 May 2019
First published
07 May 2019

New J. Chem., 2019,43, 9354-9363
Article type
Paper

Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges

P. Ren, Y. Yang, H. Li, Z. Yang and S. Pan, New J. Chem., 2019, 43, 9354
DOI: 10.1039/C9NJ01680E

Social activity

Search articles by author

Spotlight

Advertisements