Incorporating rare-earth cations with moderate electropositivity into iodates for the optimized second-order nonlinear optical performance

Abstract

Introduction of rare-earth cations with moderate electropositivity into the iodate system afford three noncentrosymmetric rare-earth iodates REn(IO3)3n(H2O) with optimized balance between SHG efficiency and optical band gaps.

CsZrF4(IO3): The First Polar Zirconium Iodate with cis-[ZrO2F6] Polyhedra Inducing Optimized Balance of Large Band Gap and Second Harmonic Generation

“…The IR spectrum (Figure S4b) of a powder sample of CsZrF 4 (IO 3 ) with KBr shows absorption peaks in the IR fingerprint region (1200−400 cm −1 ) at 845, 779, 471, and 417 cm −1 that can be ascribed to the I−O stretching vibrations, consistent with reported iodates. 25,44 The broad transparent spectral region of CsZrF 4 (IO 3 ) indicates significant potential for use with UV, visible, and IR laser output.…”

Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation

“…The instruments and measurement procedures for powder X-ray diffraction (PXRD), energy-dispersive Xray spectroscopy (EDS), thermal analyses, infrared (IR) transmittance spectra, and UV−Vis−NIR spectra were identical to those of previous work of our group. 8,11 NLO Property Measurements. Powder SHG efficiencies of crystalline BMFS and BMFT were investigated based on a modified Kurtz−Perry method 30 using a Q-switched Nd:YAG laser (λ = 1064 nm).…”

“…The LDTs were measured on BMFS, BMFT, and AgGaS 2 (serving as the reference) with sizes of 105−150 μm based on a single-pulse method 16 with a pulse laser beam (1064 nm, 10 ns) and the tests were conducted following the procedure reported previously. 8 Synthesis. BMFS and BMFT were synthesized via facile hydrothermal reactions.…”

“…[4][5][6] To achieve crystalline materials with a NCS structure, one strategy is to apply cations that manifest a preference for distorted coordination environment induced by second-order Jahn-Teller (SOJT) effect. [7][8][9] Such a SOJT effect can be evoked by two different types of cations, including transition-metal (TM) cations with d 0 electronic configuration (Ti 4+ , V 5+ , Nb 5+ , Mo 6+ , W 6+ , etc.) and cations with sterically active lone pairs (Se 4+ , Te 4+ , I 5+ , Bi 3+ , etc.).…”

“…Nonlinear optical (NLO) materials are an important research frontier of inorganic, physical, and materials chemistry owing to their promising applications in laser frequency conversion, optical parametric oscillation, and optical parametric amplification, which play a significant role in advanced laser technology. − The noncentrosymmetric (NCS) structure is requisite for a second-order NLO material, in which microscopic polarizations of asymmetric units would be superimposed along one specific direction, thus leading to a macroscopic net polarization and second harmonic generation (SHG). − To achieve crystalline materials with a NCS structure, one strategy is to apply cations that manifest a preference for a distorted coordination environment induced by the second-order Jahn–Teller (SOJT) effect. − This effect can be evoked by two different types of cations, including d 0 transition metal (TM) cations (W 6+ , Mo 6+ , Nb 5+ , V 5+ , Ti 4+ , etc.) and cations with sterically active lone pairs (Se 4+ , Te 4+ , I 5+ , Bi 3+ , etc.…”