Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses

Fengjiao Guo; Jian Han; Jianian Cheng; Zhihua Yang; Miriding Mutailipu; Shilie Pan

doi:10.1021/acs.inorgchem.8b02778

Two Lanthanide Borate Chlorides LnB₄O₆(OH)₂Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses

Inorg Chem. 2018 Dec 3;57(23):14953-14960. doi: 10.1021/acs.inorgchem.8b02778. Epub 2018 Nov 14.

Authors

Fengjiao Guo^{1

2}, Jian Han¹, Jianian Cheng¹, Zhihua Yang¹, Miriding Mutailipu^{1

2}, Shilie Pan¹

Affiliations

¹ CAS Key Laboratory of Functional Materials and Devices for Special Environment , Xinjiang Technical Institute of Physics & Chemistry , and Xinjiang Key Laboratory of Electronic Information Materials and Devices , Chinese Academy of Sciences , 40-1 South Beijing Road , Urumqi 830011 , China.
² University of Chinese Academy of Sciences , Beijing 100049 , China.

PMID: 30427187
DOI: 10.1021/acs.inorgchem.8b02778

Abstract

Two borate chlorides LaB₄O₆(OH)₂Cl and CeB₄O₆(OH)₂Cl have been synthesized and characterized. Both of them exhibit structure similar to that of notable KBe₂BO₃F₂ and feature two-dimensional [B₄O₆(OH)₂]_∞ layers constructed by [B₄O₈(OH)]₂ fundamental building blocks. Thermal analyses, infrared spectroscopy, UV-vis-NIR spectra, and second harmonic generation measurement were performed to investigate their physical properties. The results show that both of them have high decomposition temperatures and large second-harmonic generation responses (2.3 and 2.1 × KH₂PO₄, respectively), and LaB₄O₆(OH)₂Cl possesses a deep-UV cutoff edge below 180 nm and large band gap. Moreover, the first-principle calculations were carried out to clarify the role of the electronic structure in determining the associated optical properties of LaB₄O₆(OH)₂Cl. These results demonstrate that LaB₄O₆(OH)₂Cl can be considered as a candidate for ultraviolet nonlinear optical material.