Structural peculiarities and photoluminescence of ZnGa2Se4 compound

Tagiyev, B.G.; Tagiyev, O.B.; Kerimova, T. G.; Guseynov, G.G.; Asadullayeva, S. G.

doi:10.1016/j.physb.2009.08.276

Cited by 9 publications

(5 citation statements)

References 2 publications

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“…Zn 2+ cation with relatively small covalent radii shows positive roles to increase the E g and to maintain the d ij of a compound, simutaneously . On the other hand, Zn 2+ -containing chalcogenides usually exhibit interesting fluorescence properties. − Therefore, we think it is interesting to introduce a ZnS 4 tetrahedral building unit into a 3D network of main group metal tetrahedra in the hope of discovering new compounds with desired NLO properties and interesting fluorescence properties. Herein, a novel chalcogenide, Ba 6 Zn 7 Ga 2 S 16 , with excellent NLO performance is discovered.…”

Section: Introductionmentioning

confidence: 99%

Ba₆Zn₇Ga₂S₁₆: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Liu

2017

Chem. Mater.

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High-performance infrared (IR) nonlinear optical (NLO) materials with large laser damage thresholds (LDTs) are urgently needed because the current commercially available AgGaS2, AgGaSe2, and ZnGeP2 suffer their very low LDTs which shorten significantly their service lifetimes. Here, a novel sulfide, Ba6Zn7Ga2S16 with a very wide band gap of 3.5 eV, has been discovered. This compound crystallizes in the chiral trigonal R3 space group with a novel 3D framework that is constructed by ZnS4 tetrahedra, Zn3GaS10 supertetrahedra (a T2-type), and Zn3GaS10 quadri-tetrahedral clusters via vertex-sharing. Such a novel structure exhibits desirable features which suggest a promising NLO material: phase-matchability (PM), good NLO efficiency (about half that of benchmark AgGaS2), and the highest LDT among PM chalcogenides (28 times that of benchmark AgGaS2). In addition, the density functional theory (DFT) calculations confirm its PM behavior and reveal that the second harmonic generation (SHG) origin is mainly ascribed to the transition process from S-3p to Ga-4p, Zn-3p, Zn-3d, and Ba-5d states; the calculated d 11 coefficient of 6.1 pm/V agrees well with experimental values.

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Section: Introductionmentioning

confidence: 99%

Ba₆Zn₇Ga₂S₁₆: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Liu

2017

Chem. Mater.

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“…Na 2 ZnGeS 6 with wide band gap of 3.24 eV shows NLO response as large as commercial AgGaS 2 . Meanwhile, Zn 2+ containing chalcogenides often have interesting fluorescence properties. , …”

Section: Introductionmentioning

confidence: 99%

“…23 Meanwhile, Zn 2+ containing chalcogenides often have interesting fluorescence properties. 25,26 In our earlier work, we focused on quaternary Ba/Zn/M/Q (M = Ga, In; Q = S, Se) system considering the following: (1) The involvement of Ba 2+ cations in chalcogenides not only can help to enlarge band gaps for their larger ionic radii but also can raise the possibility of forming novel structures for their variable coordinated modes. 27 (2) Zn 2+ cations have no d or f electronic transitions, which are negative for band gap enlargement, and they will be much more polarized with Sor Se-ligands in improving the NLO intensities.…”

Section: ■ Introductionmentioning

confidence: 99%

Ba₁₀Zn₇M₆Q₂₆: Two New Mid-infrared Nonlinear Optical Crystals with T2 Supertetrahedron 3D Framework

Wang

Sun

et al. 2018

Crystal Growth & Design

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Two new mid-infrared (MIR) nonlinear optical (NLO) chalcogenide crystals, Ba10Zn7In6S26 (1) and Ba10Zn7Ga6Se26 (2) were discovered by traditional solid state reactions. Compounds 1 and 2 are isostructural, and they represent a novel three-dimensional (3D) framework made by apex-sharing T2 supertetrahedron 2D layers that are stacked alternately by another kind of T2 supertetrahedra though sharing apexes along the c direction, with T1 tetrahedra inserting in the tunnels and Ba2+ cations locating both in the voids and in the tunnels. Among them, 1 shows attractive MIR NLO properties with a wide band gap of 3.0 eV, a strong second harmonic generation (SHG) signal about 4.1 times that of the commercial AgGaS2 at particle sizes of 30–46 μm under a 2.05 μm laser radiation, and a high laser damage threshold (LDT) of 37.2 times that of benchmark AgGaS2 at particle sizes of 150–210 μm under a 1.064 μm laser radiation. This distinguishes 1 as a new promising MIR NLO material. In addition, the density functional theory (DFT) analyses suggest that the SHG response of 1 comes mainly from the electronic transitions from S 3p to Ba 5d, Zn 4s, Zn 3d, In 5s, and In 5p states.

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“…The dynamical matrix and phonon‐modes were calculated on a homogeneous 4 × 4 × 4 Monkhorst–Pack grid. [ 16 ] The optimized lattice parameters and atomic positions were determined by minimizing the Helmann–Feynman forces acting on the atoms. The minimization procedure was carried out until the value of the modulus of forces was less than 10–8 Ry/Bohr.…”

Section: Methodsmentioning

confidence: 99%

“…It is very interesting that, similar result also reported for rare-earth-doped ZnGa 2 S 4 and obtained PL emission peaks explained by electronic transitions of rare-earth ions. [16][17][18][19] In this study, high-intensity PL emission in the visible-light spectrum is observed even in undoped ZnGa 2 S 4 which can be considered as good candidate for white light-emitting sources. In contrast, Figure 2 shows that the position of the maxima do not change with temperature.…”

Section: Emission and Excitation Spectroscopymentioning

confidence: 99%

Optical and Dynamic Properties of ZnGa₂S₄

Asadullayeva

Jahangirli

Naghiyev

et al. 2021

Physica Status Solidi (b)

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ZnGa2S4 luminescent compound is prepared by solid‐state reaction, which is confirmed by X‐ray diffraction to have a tetragonal structure. The photoluminescence (PL) emission and excitation spectra, infrared (IR) reflectivity and Raman scattering of the defective ZnGa2S4 compound are studied experimentally. High stability of the shape and peak positions of the PL spectra is observed in a wide range temperature range (100–290 K). It was determined that PL intensity increases with decreasing temperature. Higher correlated color temperature (CCT) value >6000 K implies the suitability of using this material for light emitting diodes. Five modes of optical phonons are found in both IR reflectance and Raman spectra of ZnGa2S4 and identified from point group symmetry analysis. The calculations of the dynamic properties are carried out within the framework of the density functional theory (DFT) with full optimization of the lattice parameters. Results of calculations show that, the phonon‐dispersion curve is sensitive to S–Se replacement in ZnGa2S4 and gives rise to clearly pronounced energy gaps in the phonon spectrum.

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Structural peculiarities and photoluminescence of ZnGa2Se4 compound

Cited by 9 publications

References 2 publications

Ba₆Zn₇Ga₂S₁₆: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Ba₆Zn₇Ga₂S₁₆: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Ba₁₀Zn₇M₆Q₂₆: Two New Mid-infrared Nonlinear Optical Crystals with T2 Supertetrahedron 3D Framework

Optical and Dynamic Properties of ZnGa₂S₄

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Structural peculiarities and photoluminescence of ZnGa2Se4 compound

Cited by 9 publications

References 2 publications

Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Ba10Zn7M6Q26: Two New Mid-infrared Nonlinear Optical Crystals with T2 Supertetrahedron 3D Framework

Optical and Dynamic Properties of ZnGa2S4

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Ba₆Zn₇Ga₂S₁₆: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Ba₆Zn₇Ga₂S₁₆: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties

Ba₁₀Zn₇M₆Q₂₆: Two New Mid-infrared Nonlinear Optical Crystals with T2 Supertetrahedron 3D Framework

Optical and Dynamic Properties of ZnGa₂S₄