The new compound BaGa4Se7 has been synthesized for the first time. It crystallizes in monoclinic space group Pc with a = 7.6252 (15) Å, b 6.5114 (13) c 14.702 (4) β 121.24 (2)°, and Z 2. In structure, GaSe4 tetrahedra share corners to form three-dimensional framework cavities occupied by Ba2+ cations. material is wide-band gap semiconductor visible IR optical absorption edges being 0.47 18.0 μm, respectively. melts congruently at 968 °C exhibits second harmonic generation response 1 μm that...

A new mercury selenide BaHgSe2 was synthesized. This air-stable compound displays a large nonlinear optical (NLO) response and melts congruently. The structure contains chains of corner-sharing [HgSe3](4-) anions in the form trigonal planar units, which may serve as kind basic functional group IR NLO materials to confer susceptibilities physicochemical stability. Such units inspire path finding classes practical utility that are totally different from traditional chalcopyrite materials.

The four compounds BaGa(2)MQ(6) (M = Si, Ge; Q S, Se) have been identified as a new series of IR nonlinear optical (NLO) materials and are promising for practical applications. They isostructural crystallize in the noncentrosymmetric polar space group R3 trigonal system. Their three-dimensional framework is composed corner-sharing (Ga/M)Q(4) tetrahedra with Ba(2+) cations cavities. alignment one (Ga/M)-Q2 bond each along c direction conducive to generating large NLO response, which was...

The four isostructural compounds Li(2)In(2)MQ(6) (M = Si, Ge; Q S, Se) have been synthesized for the first time. They crystallize in noncentrosymmetric monoclinic space group Cc with three-dimensional framework composed of corner-sharing LiQ(4), InQ(4), and MQ(4) tetrahedra. second-harmonic-generation signal intensities two sulfides selenides were close to those AgGaS(2) AgGaSe(2), respectively, when probed a laser 2090 nm as fundamental wavelength. possess large band gaps 3.61(2) eV...

New practically usable infrared (IR) nonlinear optical (NLO) crystals, especially those suitable for highly efficient pumping of the commercial 1 μm laser, are in urgent demand. However, only a few new IR NLO materials have been grown into bulk crystals and realized laser output during past 20 years due to extreme difficulty achieving coexistence various strongly correlated properties. In this work, on basis bonding characteristics Hg element an screening strategy high-performance we...

The new compound LiGaGe(2)Se(6) has been synthesized. It crystallizes in the orthorhombic space group Fdd2 with a = 12.501(3) Å, b 23.683(5) c 7.1196(14) and Z 8. structure is three-dimensional framework composed of corner-sharing LiSe(4), GaSe(4), GeSe(4) tetrahedra. exhibits powder second harmonic generation signal at 2 μm that about half benchmark material AgGaSe(2) possesses wide band gap 2.64(2) eV. melts congruently rather low temperature 710 °C, which indicates bulk crystals can be...

(C₃N₃O₃)³⁻ is first proposed to be an excellent birefringent active group and the representative compounds Ba₂M(C₃N₃O₃)₂ (M = Mg Ca) are studied in detail.

The quaternary chalcogenides SrCdGeS4 and SrCdGeSe4 were prepared by high-temperature reactions in the form of single crystals (at 1223 1123 K, respectively) or microcrystalline samples 1023 K). They adopt non-centrosymmetric structures (orthorhombic, space group Ama2, Z = 4; a 10.3352(14) Å, b 10.2335(14) c 6.4408(9) Å for SrCdGeS4; 10.8245(8) 10.6912(8) 6.6792(5) SrCdGeSe4) consisting anionic [CdGeCh4]2– layers separated Sr2+ cations. Although structure is closely related to...

Practical ultraviolet nonlinear optical (NLO) crystals are indispensable in modern scientific equipment and solar‐blind communication systems. Herein, a new hydroisocyanurate NLO crystal, Cs 3 Na(H 2 C N O ) 4 · 3H ( 1 ), was grown by facile aqueous solution method. It features two‐dimensional layered structure composed of coplanar large π‐conjugated ∞ [H ] – isocyanurate ribbons. More importantly, it exhibits concurrently short phase‐matching capability (λ pm ≈ 227 nm) considerable...

Great enhancement of the second harmonic generation response is achieved in AgHgPS₄by introducing vacancy defects and highly distorted HgS₄tetrahedra using AgGaS₂as template.

Abstract A series of nonlinear optical (NLO) chalcohalides AXHg 3 P 2 S 8 (A = Rb, Cs; X Cl, Br), which contain various Hg‐based building units including mixed‐anion trigonal planar [HgS X] 3− and tetrahedral 5− , are successfully synthesized. These compounds display good water resistance, wide infrared transparent region (0.42–17 µ m), high laser‐induced damage thresholds (4.5–6 × AgGaS ), strong phase‐matchable second harmonic generation (SHG) response close to . The chalcohalide groups...

A high efficiency and peak power picosecond (ps) mid-infrared optical parametric amplifier with a new nonlinear crystal BaGa(4)Se(7) pumped by 30 ps 1064 nm Nd:YAG laser is demonstrated for the first time. The maximum photon conversion of 56% from to 3.9 μm idler has been achieved at pump energy ~1.8 mJ. output 830 μJ ~27 MW was obtained ~9.1 Moreover, 3-5 tuning range demonstrated, energies ~300 5 up 1 mJ 3 ~8.2 energy.

The second-order nonlinear optical (NLO) coefficients of the BaGa(4)Se(7) crystal were experimentally determined through Maker Fringe Technique for first time. values two major tensor elements d11 and d13 24.3 20.4 pm/V, respectively. These results in agreement with ones obtained theoretical calculations.

A new phase of Ba3(C3N3O3)2 (I) was grown from RbCNO and BaCl2 by a solid state cyclo-trimerization reaction. It crystallizes in space group R3̅ with the cell parameters = 7.0934(2) Å c 20.1130(9) Å, featuring layered structure stacked ∞2[Ba(C3N3O3)2]2– double layers along direction. I exhibits wide ultraviolet transparency large optical anisotropy Δn 0.32 at 800 nm, two times than that benchmark birefringent crystal calcite. The discovery shows replacement calcite is conceivable opens novel...

A Hg-based ternary infrared nonlinear optical (NLO) material, Hg2GeSe4, with the defect diamond-like (DL) structure was systematically investigated for first time. The experimental results show that Hg2GeSe4 exhibits an enhanced second harmonic generation (SHG) response about 2.1 times of normal DL selenide AgGaSe2 (d36 = 33 pm/V) at particle size 150–200 μm, as well good phase-matchable ability. Moreover, theoretical analysis reveals nonbonding electrons around Se atoms in make a dominant...

Two RE-based quaternary metal chalcogenides EuCdGeQ₄(Q = S, Se) are discovered. They possess many attractive properties as preferred IR NLO materials including large band gaps, phase-matched intense SHG and congruent melting behavior.

Highly polarizable mixed-anion structural building units (SBUs) have been demonstrated as promising candidates for high-performing optical crystals. In this work, two new SBUs of [GeOSe3] and [GeO3S] are first designed through partial isovalent substitution chalcogen atoms by O in the classical [GeQ4] (Q = S, Se) tetrahedra. On basis these SBUs, quaternary oxychalcogenides, Sr3Ge2O4Se3 SrGe2O3S2, successfully synthesized. crystallizes noncentrosymmetric space group R3m possesses unique...

Mixed alkali/alkali-earth metal hydroisocyanurates A₂B(H₂C₃N₃O₃)₄·<italic>n</italic>H₂O (A = K, Rb, Cs; B Mg, Ca, <italic>n</italic> 4, 10) with strong optical anisotropy were grown.

Chalcogenides with diamond-like (DL) structures are a treasury of infrared nonlinear optical (NLO) materials. Here, ternary Hg-based chalcogenide defect DL structure, Hg3P2S8, is synthesized by solid-state reaction. Driven the highly distorted [HgS4] tetrahedra, this compound displays an interesting structural symmetry degradation from tetragonal to orthorhombic compared its analogue Zn3P2S8. Meanwhile, overall performances Hg3P2S8 quite remarkable, including very strong phase-matchable...

The new compound BaAl4Se7 has been synthesized by solid-state reaction. It crystallizes in the non-centrosymmetric space groupPc and adopts a three-dimensional framework built from AlSe4 tetrahedra with Ba2+ cations cavities. material large band gap of 3.40(2) eV. melts congruently at 901 °C exhibits second harmonic generation (SHG) response 1 μm that is about half AgGaS2. From structure calculation, direct-gap semiconductor strong hybridization Al 3s, 3p, Se 4p orbitals near Fermi level....

The twelve quaternary rare-earth selenides Ba(2)MLnSe5 (M = Ga, In; Ln Y, Nd, Sm, Gd, Dy, Er) have been synthesized for the first time. compounds Ba(2)GaLnSe(5) (Ln are isostructural and crystallize in a new structure type centrosymmetric space group P ̅1 of triclinic system while Ba(2)InLnSe(5) belong to Ba(2)BiInS(5) noncentrosymmetric Cmc2(1) orthorhombic system. structures contain infinite one-dimensional anionic chains (1)(∞)[GaLnSe(5)](4-) (1)(∞)[InLnSe(5)](4-), both built from LnSe(6)...

Substitution of Cd for Ga leads to partial ordering and opens a band gap in Ba₅CdGa₆Se₁₅, built corner-sharing tetrahedra.

A new ternary selenostannate Ba6Sn6Se13 has been synthesized by a high temperature solid-state method. The compound crystallizes in the non-centrosymmetric orthorhombic space group P212121 and may be represented as Ba6Sn52+Sn4+Se13 with mixed valence Sn atoms. Sn4+ cations lie tetrahedral environment, while Sn2+ are found two kinds of coordination environments: trigonal pyramid quadrangular pyramid. SnSen (n = 3, 4, 5) polyhedra further connected to generate three-dimensional framework Ba2+...