KLi₂CO₃F: a beryllium-free KBBF-type deep-UV carbonate with an enhanced interlayer interaction and large birefringence

Abstract

KBe2BO3F2 (KBBF) with perfect honeycomb hexagonal layered structure is the sole practical deep-ultraviolet (DUV) nonlinear optical material which could generate DUV coherent light through direct frequency doubling. However, the layered...

Centrosymmetric CaBaMF8 and Noncentrosymmetric Li2CaMF8 (M = Zr, Hf): Dimension Variation and Nonlinear Optical Activity Resulting from an Isovalent Cation Substitution-Oriented Design

“…Alkali/alkaline earth (A/AE) elements averting the d–d/f–f electron transition have long-term been recognized as powerful elements for a large band gap . Additionally, the introduction of fluorine that exhibits a large hyperpolarizability tensor and the strongest electronegativity in the periodic table is of high frequency for synthesizing materials with a blue-shifted UV cutoff edge, , supported by cases of NH 4 B 4 O 6 F, Sc 2 F 2 (B 2 O 5 ), KLi 2 CO 3 F, Pb 7 F 12 Cl 2 , Na 2 CeF 6 , ZnF 2 (H 2 O) 4 , etc. Recently, zirconium/hafnium featuring weak electronegativity among the early transition-metal (ETM) elements has caught our attention, and considerable effort has been put into the study of the A/AE–Zr/Hf–F system.…”

Sn3B10O17Cl2 Achieving Birefringence Enhancement by Stereochemical Activity Lone Pair

“…Owing to the abilities to modulate polarized light, birefringent materials are indispensable for polarization devices, which are commonly used in fiber optic sensors, linear optics, laser processing, and advanced optical communications. − In the last few years, scientists have developed a few birefringent crystals for commercial use, including YVO 4 , TiO 2 , CaCO 3 , MgF 2 , and α-BaB 2 O 4 crystals; however, the search for superior birefringent crystals is an absolute necessity to satisfy the current application requirements in different optical fields.…”

KBa3M2F14Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties

“…At the present stage, p-conjugated systems with planar building units, that is, borates, carbonates, nitrates, and their derivates, are promising candidates for NLO materials because of their strong SHG intensities and large birefringences. [24][25][26][27][28][29] Non-p-conjugated systems are also considered as potential systems in the DUV region because the relatively low electron energy of the s bonds of the tetrahedral groups is conducive to a large band gap, viz., a short UV cutoff edge. [30][31][32][33] 12 and K 3 Sc 3 (PO 4 )(PO 3 F) 2 F 5 .…”