K<sub>0.9</sub>Rb<sub>2.1</sub>B<sub>8</sub>PO<sub>16</sub>: Design and Synthesis of a Deep-Ultraviolet Nonlinear Optical Crystal with Balanced Performance Derived from π-Conjugated and Non-π-Conjugated Groups
A new deep-ultraviolet (DUV) nonlinear optical (NLO) material K<sub>0.9</sub>Rb<sub>2.1</sub>B<sub>8</sub>PO<sub>16</sub> (KRBPO) has been designed and synthesized by adjusting the B/P molar ratio to 8:1. The KRBPO crystals were synthesized by a flux method and crystallized in noncentrosymmetric (NCS) and polar space group <i>Cc.</i> This compound exhibits a double-layer structure in which the A layer is composed of [B<sub>2</sub>O<sub>5</sub>] and [BO<sub>4</sub>] units and the B layer is formed by interconnected [B<sub>3</sub>O<sub>7</sub>] and [BO<sub>3</sub>] groups, and the two layers are connected by [PO<sub>4</sub>] tetrahedron. The theoretical calculations and experiments show that the synergistic interaction of π-conjugated and non-π-conjugated units leads to relatively well-balanced NLO properties of the title compound, including moderated SHG (0.7 × KDP), short UV cutoff edge (λ<sub>cutoff</sub> < 190 nm), and a large band gap of 6.16 eV. Specifically, the coplanar arrangement of B-O groups in double-layer makes the KRBPO display a large birefringence (0.075@532 nm) and enables the shortest phase-matched wavelength to reach an important laser output wavelength of 266 nm.
Authors
- Zhanggui Hu (ORCID: https://orcid.org/0009-0004-0704-6105)
- Xianchao Zhu (ORCID: https://orcid.org/0000-0002-5401-1552)
- Yicheng Wu (ORCID: https://orcid.org/0000-0003-2859-8115)
- Jiyang Wang (ORCID: https://orcid.org/0009-0001-8509-0855)
- Wenyu He
Institutions
- Tianjin University of Technology (CN)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2024-09-22
- DOI
- https://doi.org/10.1021/acs.inorgchem.4c03422
- Citations
- 9
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 1.06
Funders
- National Natural Science Foundation of China