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Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence.
TLDR
Theoretical calculations revealed the crucial effects of mixed-anion [GeOSe3] and [GeO3S] units on the moderate second harmonic generation response and large birefringence, which will guide the exploration of new functional oxychalcogenides.
Two rare-earth-based quaternary chalcogenides EuCdGeQ4 (Q = S, Se) with strong second-harmonic generation.
TLDR
Two new rare-earth-based chalcogenides EuCdGeQ4 (Q = S, Se) have been designed and constructed by using Eu2+ and the classical NLO-active SBUs of [CdQ4] and [ GeQ4], which melt congruently at relatively low temperatures and are suitable for bulk crystal growth by the Bridgman method.
AHgSnQ4 (A = Sr, Ba; Q = S, Se): A Series of Hg-Based Infrared Nonlinear-Optical Materials with Strong Second-Harmonic-Generation Response and Good Phase Matchability.
TLDR
All four Hg-based IR nonlinear-optical materials show phase-matching behavior, and the results of first-principles calculation elucidate the key role of the HgQ4 group in the enhanced SHG effect in β-BaHgSnS4 and BaHg SnSe4.
EuHgGeSe4 and EuHgSnS4: Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses.
TLDR
Structural analysis and theoretical calculations verify the critical driving effects of [HgQ4]6- tetrahedra on the strong SHG activity and demonstrate that EuHgGeSe4 and EuhgSnS4 are potential IR NLO materials.
Molecular Construction from AgGaS2 to CuZnPS4: Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement
Herein, we offer a simple but crucial case for rational design and syntheses of infrared nonlinear optical (NLO) materials by employing state-of-art AgGaS2 as a parent model. On the basis of inheri...
Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar Groups
Trigonal-planar units with high physicochemical stability and large polarizability anisotropy are one kind of promising fundamental building block (FBB) for constructing novel nonlinear optical (NL...
Highly Distorted [HgS4] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg3P2S8.
TLDR
The theoretical analysis and local dipole moment calculations elucidate that the highly distorted [HgS4] tetrahedra contribute a lot to the enhancement of the SHG effect, which will motivate the exploration of other DL Hg-based chalcogenides serving as high-performing mid-IR NLO materials.
Na3Bi(IO3)6: An Alkali-Metal Bismuth Iodate with Intriguing One-Dimensional [BiI6O18] Chains and Pressure-Induced Structural Transition.
An alkali-metal bismuth iodate, Na3Bi(IO3)6, was successfully obtained by the hydrothermal method for the first time and contains intriguing one-dimensional [BiI6O18] chains. High-pressure Raman
AXHg3P2S8 (A = Rb, Cs; X = Cl, Br): New Excellent Infrared Nonlinear Optical Materials with Mixed‐Anion Chalcohalide Groups of Trigonal Planar [HgS2X]3− and Tetrahedral [HgS3X]5−
A series of nonlinear optical (NLO) chalcohalides AXHg3P2S8 (A = Rb, Cs; X = Cl, Br), which contain various Hg‐based building units including mixed‐anion trigonal planar [HgS2X]3− and tetrahedral
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