A new tin iodate fluoride, Sn(IO3)2F2, was meticulously designed based on Sn(IO3)4 with an intriguing chemical tailoring transformation from the centrosymmetric to noncentrosymmetric structure. Sn(...

Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2

Dimensionality reduction made high-performance mid-infrared nonlinear halide crystal

Purely cubic spin splittings in the band structure of bulk insulators have not been extensively investigated yet despite the fact that they may pave the way for novel spin-orbitronic applications and can also result in a variety of promising spin phenomena. By symmetry analysis and first-principles simulations, we report symmetry-enforced purely cubic spin splittings (SEPCSS) that can even lead to persistent spin textures. In particular, these SEPCSS can be thought to be complementary to the cubic Rashba and cubic Dresselhaus types of spin splittings. Strikingly, the presently discovered SEPCSS are expected to exist in the large family of materials crystallizing in the 6[over ¯]m2 and 6[over ¯] point groups, including the Ge_{3}Pb_{5}O_{11}, Pb_{7}Br_{2}F_{12}, and Pb_{7}Cl_{2}F_{12} compounds.

https://hal.archives-ouvertes.fr/hal-03295043/document

Purely Cubic Spin Splittings with Persistent Spin Textures

Halides are one type of important IR nonlinear-optical material candidate. Here, a mixed alkali metal and d0 transition-metal fluoride, namely, KNa2ZrF7, was obtained by a facile hydrothermal method. It crystallizes in an orthorhombic system with the polar space group Pmn21, and its pseudo-1D structure features isolated (ZrF7)3- moncocapped trigonal prisms, which are ionically linked together by countercations K+ and Na+, representing a new type of fluoride. The powder sample of KNa2ZrF7 exhibits a moderate second-harmonic-generation response and a high laser-induced damage threshold. Besides, it can realize phase matchability and possesses a wide-IR transparent window. Thermal stability analysis suggests that KNa2ZrF7 is a congruent compound. Structural comparisons with related fluorides and theoretical calculations are also presented in this work.

KNa2ZrF7: A Mixed-Metal Fluoride Exhibits Phase-Matchable Second-Harmonic-Generation Effect and High Laser-Induced Damage Threshold.

The new zirconium fluoride, K3Ba2Zr6F31, is reported, featuring unprecedented acentric cis-[Zr6F34]10− clusters composed of ZrF8 units, which display a moderate second-harmonic generation response (0.5 × KH2PO4) and short UV cutoff edge (below 200 nm).

Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar cis-[Zr6F34]10− clusters

This study reports, for the first time, the second-harmonic generation (SHG) property of Pb7F12Cl2 as a promising infrared nonlinear optical (NLO) material. Powder second-harmonic generation (SHG) indicates that the compound exhibits phase-matchable SHG properties, which are 1.6 times stronger than those of KH2PO4 (KDP). The infrared transmission range could reach 20 μm. The UV absorption indicated that the band gap was about 4.5 eV. A preliminary measurement of laser damage threshold (LDT) is about 80 MW cm−2, which is much higher than AgGaS2 (currently commercialized IR NLO material, 5.2 MW cm−2, measured in the same condition), indicating that Pb7F12Cl2 is a potential IR NLO material with high LDT. Theoretical calculations were also performed to elucidate its band structure, electronic configuration and second-order nonlinear coefficients. Particularly, the distinct role of different Pb atoms located in divergent coordinations has also been elaborated using orbital analysis.

Pb7F12Cl2: a promising infrared nonlinear optical material with high laser damage threshold.

Five New Silver Rare-Earth Iodates, AgLn(IO3)4 (Ln=Pr, Sm, Dy, Er and Tm): Synthesis, Structures and Properties

Searching for new IR nonlinear optical (NLO) crystals with a high laser damage threshold (LDT) is still a challenge. In this paper, two new halides, β-RbCdI3·H2O and CsCdI3·H2O, have been synthesized by a conventional solution reaction. Both of them crystallize in the monoclinic space group Pc (no. 7). In their crystal structures, all the corner-sharing [CdI4] tetrahedra connect with each other to form 1D chains, which further connect with [Rb(H2O)]+/[Cs(H2O)]+ complexes to form three-dimensional (3D) frameworks. All the polar [CdI4]2− groups align in such a way that results in a favorable net polarization. Powder second-harmonic generation (SHG) measurements indicate that β-RbCdI3·H2O and CsCdI3·H2O show phase-matchable SHG responses of 2.7 and 2.6 times that of KH2PO4 (KDP). The infrared transmission range can reach 21 μm. The UV-vis diffuse reflectance spectra indicate that the band gaps of β-RbCdI3·H2O and CsCdI3·H2O are about 3.26 and 3.54 eV, respectively. A preliminary measurement indicates that the LDT of their powders is about 90 and 100 MW cm−2, respectively, suggesting that β-RbCdI3·H2O and CsCdI3·H2O are two new promising IR NLO materials. Their band structure and optical property calculations based on DFT methods are carried out.

Synthesis, crystal structures and nonlinear optical properties of β-RbCdI3·H2O and CsCdI3·H2O

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Pb7F12Cl2: a promising infrared nonlinear optical material with high laser damage threshold.

Five New Silver Rare-Earth Iodates, AgLn(IO3)4 (Ln=Pr, Sm, Dy, Er and Tm): Synthesis, Structures and Properties

Synthesis, crystal structures and nonlinear optical properties of β-RbCdI3·H2O and CsCdI3·H2O