Single Crystal For Optoelectronic Applications Research Articles

Experimental and theoretical investigation on the SR method grown semi-organic Piperazinium Tetrachlorozincate Monohydrate (PTZM) single crystal for optoelectronic applications

Efficient semi organic nonlinear optical (NLO) Piperazinium Tetrachlorozincate monohydrate (PTZM) [C4H12N2][ZnCL4]·H2O single crystals have been grown by slow evaporation solution technique (SEST) and Sankaranarayanan-Ramasamy (SR) method using water as solvent. Single crystal X-ray diffraction (SXRD) analysis reveals the unit cell parameters of the grown crystal. The morphology of the grown crystal was identified by the single crystal XRD analysis. The electrical properties, dielectric constant, dielectric loss and piezoelectric (d33) coefficient were determined. The etch pit density of PTZM crystal has been calculated by using the chemical etching analysis. The laser damage threshold (LDT) analysis was investigated by Nd: YAG laser and the wavelength of laser is 1064 nm. The mechanical stability of the grown PTZM crystal was studied using Vickers microhardness measurement. Utilizing quantum chemical calculations, the PTZM compound is analyzed for vibrational properties, HOMO and LUMO characteristics, NBO interactions, and the determination of first-order hyperpolarizability. The nonlinear susceptibility and first-order hyperpolarizability results provide compelling evidence and affirm the PTZM molecule’s potential as a strong candidate for nonlinear optical (NLO) applications.

Investigation of pure, EDTA and DTPA-doped DAST single crystal for optoelectronic applications

Investigation of pure, EDTA and DTPA-doped DAST single crystal for optoelectronic applications

Comparative investigation on slow evaporation solution technique and Sankaranarayanan-Ramasamy (SR) method semi-organic Piperazinium Tetrachlorozincate Monohydrate (PTCZM) single crystal for optoelectronic applications

Comparative investigation on slow evaporation solution technique and Sankaranarayanan-Ramasamy (SR) method semi-organic Piperazinium Tetrachlorozincate Monohydrate (PTCZM) single crystal for optoelectronic applications

Growth and temperature-tuned band gap characteristics of LiGd(MoO4)2 single crystals for optoelectronic applications

LiGd(MoO4)2 has been investigated due to its optoelectronic applications, especially for development of light-emitting diodes. In the present paper, LiGd(MoO4)2 single crystals grown by Czochralski method was studied in terms of structural and temperature dependent optical properties. X-ray diffraction analysis showed that the crystal crystallizes in a single phase tetragonal structure. Raman spectrum exhibited six distinguishable peaks around 207, 319, 397, 706, 756 and 890 cm−1. These peaks correspond to vibrational modes of free rotation, symmetrical stretching, symmetric bending, antisymmetric stretching and antisymmetric bending of (MoO4)2− tetrahedron. Infrared transmittance spectrum had eight minima around 2114, 2350, 2451, 2854, 2929, 2960, 3545 and 3578 cm−1 which are due to multiphonon absorptions. Spectral change of transmittance curves at various temperature between 10 and 300 K was utilized to elucidate temperature effect on absorption characteristics. Optical band gap of the material was found using Tauc and spectral derivative methods. The band gap value was obtained as 3.09 eV at room temperature and this value increased to 3.22 eV with decreasing temperature down to 10 K. The detailed analysis on the temperature dependency of the band gap was applied by Varshni model. The band gap at 0 K and change of rate of the band gap were estimated as 3.23 eV and −1.45 × 10−3 eV/K, respectively. Room temperature photoluminescence spectrum of the crystal presented a peak around 709 nm which corresponds to red light emission. LiGd(MoO4)2 is a potential candidate for optoelectronic devices emitting red light.

Iodine doping of CsPbBr3: toward highly stable and clean perovskite single crystals for optoelectronic applications

ABSTRACT Caesium-based mixed halide perovskite single crystals, CsPbBr3-xIx, are shown to be good candidates for many optoelectronic applications under ambient conditions. The partial substitution of iodine into the bromine sites of CsPbBr3 single crystal makes attractive effects in optical and structural properties as well as their thermal and phase stability. Herein, the Inverse Temperature Crystallization (ITC) method has been utilised to grow high-quality, large, and single-phase single crystals of CsPbBr2.4I0.6 perovskites. The iodine doping is found to result in improved purity, thermal, phase, and atmospheric stability of the single crystal and helped to tune the band gap. Further, there is a conspicuous decrease in the defect density with iodine doping. Thus the present study establishes iodine doping as a facile route to grow CsPbBr3 single crystals with overall stability and improved defect density with a broad absorption spectrum, that point toward extended optoelectronic and photovoltaic applications.

Growth and assessment of optical and non-linear optical properties of lithium sulphamate single crystal for optoelectronic applications

Growth and assessment of optical and non-linear optical properties of lithium sulphamate single crystal for optoelectronic applications

Design, crystal growth and characterizations of novel bis morpholinium zinc bromide single crystals for optoelectronic applications

A novel metal-organic third-order nonlinear optical (NLO) material with promising excellent properties in the crucial solar blind UV region. For the first time, high NLO active metal-organic complex of bis-morpholinium zinc bromide (BMZB) single crystal has been rationally designed and single crystals have been grown by slow evaporation solution technique (SEST). Remarkably, the grown crystal exhibits competitive and even superior physical properties including high thermal stability and wider transparency than the standard NLO single crystal. The title compound crystallizes in the monoclinic crystal system with the space group of P21/cc and four molecules are accumulated in the unit cell (unit cell parameters are a = 6.7860 (6) Å, b = 16.6239 (2) Å, c = 14.8875 (2) Å, β = 94.937 (3)° and Z = 4). Further, the phase purity and the crystallinity of the grown sample were analyzed through powder X-ray diffraction (PXRD) analysis. The Fourier transform infrared (FTIR) spectroscopy analysis has been used to determine the presence of multifarious functional groups in the grown crystal. The recorded optical transmittance spectrum reveals that the BMZB crystal possesses good optical transparency in the range between deep ultraviolet (UV) and near-infrared (NIR) regions. Intriguingly, the short cut-off edge of the grown crystal is found to be about 227 nm which is more favorable for developing modern photonic and optoelectronic devices in the solar blind UV region. The thermal and mechanical stabilities of the grown crystals have been studied using Vickers microhardness and thermogravimetry (TG) and differential thermal analysis (DTA) respectively. Moreover, key requirements for designing practical NLO devices such as large laser damage threshold (LDT) and excellent third-order NLO response have been observed in the grown single crystal. Therefore, our findings open up a new avenue to the rational design of thermally stable and large NLO active metal-organic complexes for practical NLO applications.

Linear and nonlinear optical properties of Bi12GeO20 single crystal for optoelectronic applications

The present paper aims at presenting linear and nonlinear optical properties of Bi12GeO20 single crystals grown by Czochralski method. Transmission and reflection measurements were performed in the 400–1000 nm region. The recorded spectra were analyzed considering well-known optical models. Spectral dependencies of absorption coefficient, skin depth, refractive index, real and imaginary components of dielectric function were presented. The analyses performed on absorption coefficient showed direct bandgap and Urbach energies as 2.56 and 0.22 eV, respectively. The first- and third-order nonlinear susceptibilities and nonlinear refractive index of the crystal were also reported in the present work. The results of the present paper would provide valuable information for optoelectronic device applications of Bi12GeO20.

Synthesis, crystal structure, Hirshfeld surface, nonlinear optical properties and computational studies of Schiff based (E)-N'-(2,4-dimethoxybenzylidene) benzohydrazide single crystals for optoelectronic applications

Synthesis, crystal structure, Hirshfeld surface, nonlinear optical properties and computational studies of Schiff based (E)-N'-(2,4-dimethoxybenzylidene) benzohydrazide single crystals for optoelectronic applications

Linear and nonlinear optical characteristics of PbMoO4 single crystal for optoelectronic applications

Linear and nonlinear optical characteristics of PbMoO4 single crystal for optoelectronic applications

Gamma ray-irradiated induced effects on SCN ligand-based MMTC single crystals for optoelectronic applications synthesized by SR method

Gamma ray-irradiated induced effects on SCN ligand-based MMTC single crystals for optoelectronic applications synthesized by SR method

Optical, electrical, HOMO-LUMO and first-order hyperpolarizability studies on 2-amino-5-bromopyridinium 4-hydroxybenzoate-an organic single crystal for opto-electronic applications

Organic single crystals of 2-Amino-5-bromopyridinium 4-hydroxybenzoate were grown by slow evaporation technique at room temperature. Single crystal XRD confirms that the crystal belongs to orthorhombic system with noncentrosymmetric space group Pna21. Functional groups presents in the synthesized compound were confirmed by FTIR analysis. UV-Vis studies shows that crystal has a lower cutoff wave length at 388 nm with an optical band gap of 2.9 eV. Dielectric studies were carried out to study the charge transport mechanism in the crystal. Photoconductivity measurements were performed. Powder SHG efficiency of the compound was found to be three times the value of KDP.

Correction to: Growth, Optical, Thermal, Mechanical, Laser Damage Threshold and Electrical Polarizability of Cadmium Chloride Doped l-Alanine (LACC) Single Crystal for Optoelectronic Applications

Correction to: Growth, Optical, Thermal, Mechanical, Laser Damage Threshold and Electrical Polarizability of Cadmium Chloride Doped l-Alanine (LACC) Single Crystal for Optoelectronic Applications

L-Valine doped oxalate single crystals for optoelectronic applications

L-Valine doped potassium hydrogen oxalate (KHO) and potassium boro oxalate (KBO) single crystals are grown by slow evaporation solution growth technique at room temperature. The presence of l-valine in the crystal lattices has not altered the structure of the KHO and KBO as evidenced by Single Crystal X – ray diffraction analysis. The grown crystals are characterized by FT-IR and UV–Vis-NIR analysis. The major elements present in the crystals are identified by Energy Dispersive X-ray spectrometry. Thermo-gravimetric – Differential Thermal analysis has been enforced to evaluate the melting point of the grown crystals and the nonlinear optical property is estimated by Kurtz – Perry test.

Growth and characterization studies of rosaniline dye with KDP single crystal for optoelectronic applications

Good quality of single crystal of pure and fusion with Potassium Di hydrogen Ortho Phosphate (KDP) has been successfully grown form aqueous solution by slow cooling evaporating technique. The grown crystal characterized by FTIR, UV-visible spectral Analysis. Therefore, X-ray diffraction data reveals crystalline perfection the improved transparency for the doped crystal ascertain the inclusion of metal ion in the lattice. However, the photoluminescence studies indicate that the grown crystals have a green fluorescence emission. Dielectric studies have been carried out for the grown crystal and the results were discussed in detail.

Machine-Learning-Accelerated Perovskite Crystallization

Summary Perovskites have seen significant research interest in the last decade. As ternary and quaternary compounds, their chemical space is exceptionally large, yet perovskite development has been limited to a restricted set of chemical constituents often discovered through trial and error. Here, we report a high-throughput experimental framework for the discovery of new perovskite single crystals. We use machine learning (ML) to guide the sequence of ever-improved robotic synthetic trials. We perform high-throughput syntheses of perovskite single crystals with a protein crystallization robot and characterize the outcomes with the aid of convolutional neural network-based image recognition. We then use an ML model to predict the optimal conditions for the synthesis of a new perovskite single crystal, enabling us to report the first synthesis of (3-PLA)2PbCl4.This material exhibits strong blue emission, illustrating the applicability of the method in identifying new optoelectronic materials.

Seed crystal free growth of high-quality double cation – double halide perovskite single crystals for optoelectronic applications

We developed a seed crystal free re-fill crystallization method (RFCM) to grow high-quality (FAPbI3)0.9(MAPbBr3)0.1perovskite single crystals for optoelectronic applications.

Investigation of third-order nonlinear optical semi organic potassium bromide malate single crystals for optoelectronic applications

L-Malic acid potassium bromide MAPB, a new semi organic material was synthesized successfully by solution growth method. Single crystal x-ray diffraction analysis reveals the cell parameters of the grown crystal and it crystallized in cubic system. The molecular structure of MAPB was identified by FTIR spectral analysis. The lower cut-off wavelength (λ = 272 nm), optical energy band gap (5049 eV) and Urbach energy (0.2381 eV) of MAPB crystal was determined by using UV–Vis-NIR spectral studies. The single electronic transitional band structure of the material was identified by photoluminescence spectrum. The various morphological formations on the grown crystal were analyzed by scanning electron microscope (SEM) study. The second order nonlinear optical properties of grown MAPB were measured by Kurtz and Perry powder technique. The thermal stability of MAPB crystal was studied by differential scanning calorimetric technique. The relative dielectric property was rigorously analyzed with various temperature ranges. Vickers micro hardness test suggest that the material belongs to soft material category. Z-scan study was employed to analyze the third order non-linear optical characteristics like refractive index (n2), the absorption coefficient (β) and third order susceptibility (χ3).

Growth, characterization and optical properties of potassium iodide (KI) doped potassium hydrogen phthalate (KHP) single crystals for optoelectronic applications

Abstract Potassium iodide (KI) doped potassium hydrogen phthalate (KHP) single crystals were grown by slow evaporation technique using millipore water as a solvent. The grown single crystals were analyzed by powder X-ray diffraction and the analysis confirmed that KI-doped KHP crystallizes in orthorhombic system with space group Pca21. The functional groups were identified by FT-IR technique which showed slight shift in vibrational frequencies, indicating inclusion of dopant into the crystal lattice. The UV-Vis spectral studies revealed the optical transparency of the doped crystals in the entire visible region. The optical band gap values were estimated from Tauc plots. Kurtz-Perry powder test was employed for second harmonic generation efficiency studies of the grown crystals.

Experimental and quantum chemical studies on SHG, Z-scan and optical limiting investigation of 2-amino-5-bromopyridinium trifluoroacetate single crystal for optoelectronic applications

The 2-amino-5-bromopyridinium trifluoroacetate (2A5BPTFA) crystal has been successfully grown by solvent slow evaporation technique. The grown crystal is found to non-centrosymmetric space group Pna21 with orthorhombic crystal system, which has been confirmed from single crystal X-ray diffraction analysis. The crystalline nature of the 2A5BPTFA is supported by powder X-ray diffraction technique. The molecular structure and different functional groups in 2A5BPTFA were confirmed by 1H, 13C NMR and FTIR spectral analyses. The intermolecular charge transfer that occurs in 2A5BPTFA molecule due to the presence of N–H⋯O and C–H⋯O hydrogen bondings have been studied by Hirshfeld surface analysis. From the UV–Vis absorption and photoluminescence spectra, the lower cutoff wavelength and emission peak are found to be 364 nm and 392 nm, respectively. In addition, the optical band gap of grown crystal has been calculated as 3.47 eV. Powder second harmonic generation efficiency of the crystal is observed to be 2.44 times greater than that of potassium dihydrogen phosphate. A positive photoconducting nature and low dielectric constant values have been obtained from photoconductivity and dielectric studies. From the Z-scan study reveals the self-defocusing nature of the grown crystal. Optical limiting study shows the optical limiting response of 2A5BPTFA crystal. In addition, the intermolecular charge transfer interactions and existence of N–H⋯O hydrogen bonding of the 2A5BPTFA have been confirmed by density functional theory methods and are discussed in detail.