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Synthesis, Crystal Structures and Nonlinear Optical Properties of β-RbCdI3·H2O and CsCdI3·H2O

Abstract

Searching for new IR nonlinear optical (NLO) crystals with high laser damage threshold (LDT) is still a challenge. In this paper, two new halides, β-RbCdI3·H2O and CsCdI3·H2O, have been synthesized by conventional solution reaction. Both of them are crystallize in the monoclinic space groups Pc (no. 7). In their crystal structures, all the corner-sharing [CdI4] tetrahedra connect with each other to form 1D chains, which are further connect with [Rb(H2O)]+/[Cs(H2O)]+ complexes to form the three-dimensional (3D) frameworks. All the polar [CdI4]2- groups align in such a way that result into a favorable net polarization. Powder second-harmonic generation (SHG) measurements indicates that β-RbCdI3·H2O and CsCdI3·H2O show phase-matchable SHG properties 2.7 and 2.6 times stronger than KH2PO4 (KDP). The infrared transmission range can up to 21 µm. The UV absorption indicate that the band gap of β-RbCdI3·H2O and CsCdI3·H2O are about 3.26 and 3.54 eV. A preliminary measurement indicates that the LDT of their powders are about 90 and 100 MW/cm2, indicating that β-RbCdI3·H2O and CsCdI3·H2O are two new promising IR NLO materials. Band structures and optical properties calculations for them based on DFT methods are carried out.

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Publication details

The article was received on 03 Apr 2019, accepted on 15 Apr 2019 and first published on 16 Apr 2019


Article type: Paper
DOI: 10.1039/C9DT01408J
Citation: Dalton Trans., 2019, Accepted Manuscript

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    Synthesis, Crystal Structures and Nonlinear Optical Properties of β-RbCdI3·H2O and CsCdI3·H2O

    Q. Wu, X. Liu, S. Xu, H. Pi, X. Han, Y. Liu and Y. Li, Dalton Trans., 2019, Accepted Manuscript , DOI: 10.1039/C9DT01408J

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