Ga-based IR nonlinear optical materials: Synthesis, structures, and properties

Coordination Chemistry Reviews, Journal Year: 2023, Volume and Issue: 502, P. 215617 - 215617

Published: Dec. 21, 2023

Language: Английский

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First-Principles High-Throughput Screening and Experimental Verification of III-VIB Transition Metal Chalcogenides Nonlinear Optical Crystals

Chemistry of Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 23, 2025

Language: Английский

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Ba₁₀In₂Mn₁₁Si₃O₁₂S₁₈: First Hexanary Oxychalcogenide Containing an Infrequent Three-Dimensional Noncentrosysmmetric Framework

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(9), P. 4022 - 4027

Published: Feb. 23, 2024

Noncentrosymmetric (NCS) oxychalcogenides have attracted great attention in recent years due to their immense potential as candidates for IR nonlinear-optical (NLO) applications. Despite notable advancements this field, the discovery of with three-dimensional (3D) framework structures remains a formidable challenge. In study, we report first hexanary oxychalcogenide, Ba10In2Mn11Si3O12S18, exhibiting second-order NLO activity, using high-temperature solid-phase method. This compound showcases novel structure type, featuring an uncommon NCS 3D [In2Mn11Si3O12S18]20– formed by vertex-sharing [(Mn/In)S6] octahedra, [(Mn/In)OS3] tetrahedra, and [SiO4] charge-balanced Ba2+ cations occupying channels. Our study serves source inspiration researchers further investigate synthesis NLO-active frameworks.

Language: Английский

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Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties

Angewandte Chemie, Journal Year: 2025, Volume and Issue: unknown

Published: April 29, 2025

Abstract The simultaneous optimization of large birefringence (Δn, a linear optical property) and strong second‐harmonic generation (SHG, nonlinear (NLO) in single crystal remains significant challenge due to the inherently distinct structural requirements for these properties. Although nonbonding electrons have been extensively studied oxides chalcogenides, research has predominantly focused on their role along polar axes, leaving influence axes tetrahedral stacking largely unexplored. Herein, we propose electron‐inversion strategy overcome phase‐matching limitations defect diamond‐like structures. By incorporating T2‐[Ga 4 S 10 ] supertetrahedral motifs, successfully synthesized [Ba Cl 2 ][CdGa (space group: I ), which exhibits 219% enhancement Δn compared nonphase‐matching parent structure Cd GaS . weakly bound electrons, governed by atomic potentials, demonstrate SHG responses under fields. compound not only achieves broad transmission range (0.28–18.6 µm) high laser‐induced damage threshold (40.1 × AgGaS ) but also optimally balances wide bandgap ( E g = 3.58 eV) response (1.4 representing one best‐performing Cd‐based materials date. This work introduces first design based electron‐driven structure–property relationships, providing critical insights rational high‐performance NLO materials.

Language: Английский

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Recent progress in structural design strategies of high-birefringence optical crystals

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 540, P. 216775 - 216775

Published: May 8, 2025

Language: Английский

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Syntheses, Crystal Structures, and Electronic Structures of Quaternary Group IV-Selenide Semiconductors

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(14), P. 6474 - 6482

Published: March 27, 2024

Early transition-metal chalcogenides have garnered recent attention for their optoelectronic properties solar energy conversion. Herein, the first Zr-/Hf-chalcogenides with a main group cation, Ba9Hf3Sn2Se19 (1) and Ba8Zr2SnSe13(Se2) (2), been synthesized. The structure of 1 is formed from isolated SnSe44– tetrahedra distorted HfSe6 octahedra. latter condense via face-sharing trimeric motifs that are further vertex-bridged into chains 1∞[Hf(1)2Hf(2)Se11]10–. 2 comprised tetrahedra, Se22– dimers, dimers ZrSe6 These represent reported examples Hf-/Zr-chalcogenides exhibiting octahedra relatively short Hf–Hf Zr–Zr distances. Their preparation in high purity inhibited by low thermodynamic stability, calculations showing small calculated ΔUdec values +7 +9 meV atom–1 2, respectively. Diffuse reflectance measurements confirm semiconducting nature an indirect band gap ∼1.4(1) eV. Electronic show absorptions arise transitions between predominantly Se-4p valence bands mixed Hf-5d/Sn-5p or Zr-4d/Sn-5p conduction bands. Optical absorption coefficients were to be more than ∼105 cm–1 at greater 1.8 Thus, promising optical demonstrated conversion within these synthetically challenging chemical systems.

Language: Английский

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(C₅H₁₂N₂S)Hg(NO₃)₂: A Mercury Nitrate Nonlinear Optical Crystal Motivated by Heteroatom Coordination Strategy

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(32), P. 14821 - 14826

Published: July 31, 2024

Effective design and synthesis of second-order nonlinear optical (NLO) materials hold immense significance in driving modern science technology advancements. In this study, we synthesized a new acentric mercury nitrate, (C5H12N2S)Hg(NO3)2, by regulating the coordination Hg atom through introduction heteroatom. It exhibits an unprecedented [(C5H12N2S)2Hg2(NO3)4]∞ chain composed Hg2+, NO3–, organic molecule C5H12N2S. Notably, (C5H12N2S)Hg(NO3)2 demonstrates HgO3S unit second harmonic generation (SHG) intensity 1.3 × KDP at 1064 nm, presenting nitrate constructed molecule. Theoretical calculations suggest that C5H12N2S significantly contribute to SHG effect. This study incorporation heteroatoms is effective strategy for development NLO materials.

Language: Английский

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Crystal Growth, Characterization, and Properties of Nonlinear Optical Crystals of Li_0.5Ag_0.5GaTe₂ for Mid-Infrared Applications

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(45), P. 62411 - 62420

Published: Nov. 2, 2024

LiGaTe2 is a promising nonlinear optical crystal with large figure of merit (d362/n3), but it difficult to grow the single due its extreme instability. In this work, we used Ag replace Li and successfully grew Li0.5Ag0.5GaTe2 by modified Bridgman method for first time. We found has thermal stability below 200 °C in an atmospheric environment, expansion coefficient positive. This different from AgGaTe2 which have negative along c-axis. When temperature exceeds °C, easily decomposed oxidized. Under closed vacuum conditions, melting solidifying points are measured be 719 694 °C. XPS spectra show that binding energies Li, Ga, Te higher than LiGaTe2, surface The A1 vibration modes at 117.72 135.44 cm–1 Raman spectrum related Ga–Te bond [GaTe4]5– tetrahedra. wide transmittance range 0.94 20 μm, there was two-photon absorption near 16 μm. phonon PDOS were simulated DFT calculation study lattice, shows density those LiGaTe2. SHG test results showed response intensity 1.5 times AgGaS2, excellent properties mid-IR applications.

Language: Английский

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Salt-Inclusion Chalcogenides with d-orbital Components: Unveiling Remarkable Nonlinear Optical Properties and Dual-Band Photoluminescence

Chemical Science, Journal Year: 2024, Volume and Issue: 15(34), P. 13753 - 13759

Published: Jan. 1, 2024

Metals containing d-orbitals are typically characterized by strong deformation and polarization, yet they tend to induce narrow bandgaps that render them little-appreciated high-power nonlinear optical (NLO) crystals. Incorporating highly electropositive polycations into d-orbital-containing chalcogenides modify salt-inclusion (SICs) competitive in NLO materials, is a viable solution this predicament. In the present work, two isostructural SICs [K

Language: Английский

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Large Mid-Infrared Second-Harmonic Generation in Eu(II)-Based Quaternary Chalcogenides

Chemistry of Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 19, 2024

Language: Английский

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