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- Title
Sr<sub>2</sub>[B<sub>5</sub>O<sub>8</sub>(OH)]<sub>2</sub> ⋅ [B(OH)<sub>3</sub>] ⋅ H<sub>2</sub>O: A Strontium Borate That Shows Deep‐Ultraviolet‐Transparent Nonlinear Optical Properties.
- Authors
Chen, Wei‐Feng; Lu, Jing‐Yi; Li, Jing‐Jing; Lan, You‐Zhao; Cheng, Jian‐Wen; Yang, Guo‐Yu
- Abstract
A new noncentrosymmetric strontium borate, P1‐Sr2[B5O8(OH)]2 ⋅ [B(OH)3] ⋅ H2O (1), has been synthesized under the hydrothermal condition. The P1‐Sr2[B5O8(OH)]2 ⋅ [B(OH)3] ⋅ H2O shows a layered B−O network with 9‐ring windows in the ab plane. Sr2+ cations, H3BO3, and H2O molecules are located in the voids of layers and interlayers, respectively. The P1‐Sr2[B5O8(OH)]2 ⋅ [B(OH)3] ⋅ H2O is the first synthetic phase of veatchite, while the other three polymorphs are found in different natural minerals. This strontium borate is a potential deep‐ultraviolet‐transparent nonlinear‐optical (NLO) crystal whose second‐harmonic‐generation (SHG) intensity is 1.7 times that of KH2PO4 (KDP) and is phase‐matchable. The short wavelength cutoff edge of compound 1 is below 190 nm. Density functional theory (DFT) calculations show that the B−O units are responsible for the nonlinear optical property.
- Subjects
STRONTIUM; OPTICAL properties; BORATES; DENSITY functional theory; NONLINEAR optical spectroscopy
- Publication
Chemistry - A European Journal, 2024, Vol 30, Issue 29, p1
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.202400739