An initial study of the growth and defect analysis on hydrated 2-benzoyl benzoic acid crystal

In the present study, single crystals of hydrated 2-benzoyl benzoic acid were grown by the slow evaporation solution growth method. Single crystal and powder X-ray diffraction studies confirm the triclinic structure of the grown crystals. The defect in crystalline perfection has been defined by rocking curve analysis. The FTIR spectrum of the crystal displays carbonyl stretching of the carboxylic group at 1685 cm^?1 and of keto group at 1661 cm^?1. It shows a merged medium band around 3450 cm^?1 due to OH stretching and does not distinguish clearly between OH of COOH and H₂O held up in the crystal. The existence of additional bands appears at 1590 cm^?1 due to vibration of H₂O in the compound. The photoluminescence excitation studies were carried out for the grown crystals for wide wavelength range between 300 nm and 700 nm at room temperature. The range of percentage of optical absorption of the crystal has been ascertained by UV?vis spectral characterization. The mechanical strength has been determined by Vickers's microhardness measurement for different loads with constant dwell time.     

Growth and characterization of a new organic NLO material: Glycine nitrate

Single crystals of glycine nitrate [(C₂H₆NO₂)⁺ · (NO₃)⁻] were grown using submerged seed solution method. The crystals were characterized by using single crystal X-ray diffraction and density measurements. Spectroscopic, thermal and optical studies were carried out for analyzing the presence of the functional groups, thermal stability, decomposition and transparency of the sample. These studies showed that the crystals are thermally stable upto 145 °C and transparent for the fundamental and second harmonic generation of Nd:YAG (λ = 1064 nm) laser. Second harmonic generation (SHG) conversion efficiency was investigated to explore the NLO characteristics of this material. Microhardness and dielectric studies were also carried out.     

Growth,optical, mechanical,dielectric and theoretical properties of picolinium maleate NLO single crystal

Nonlinear optical single crystals of picolinium maleate (PM) were grown by slow evaporation method. The grown crystal was subjected to single crystal X-ray diffraction analysis to confirm that the crystal belongs to the monoclinic crystal structure with space group P2₁/c. The optical transmission range of the grown crystal was measured by UV–Vis–NIR region with the lower cut-off wavelength as 330 nm. The optical bandgap is found to be 3.75 eV. Mechanical strength of the grown crystal was analyzed using Vickers microhardness tester. Dielectric constant and dielectric loss of picolinium maleate are measured in the frequency range from 50 Hz to 5 MHz at different temperatures. Further, electronic properties, such as valence electron plasma energy, Penn gap, Fermi energy and electronic polarizability of the grown crystal have been estimated.     

Growth and characterization of new semi-organic l-proline strontium chloride monohydrate single crystals

The present communication deals with the synthesis, single crystal growth and characterization of a new nonlinear optical material l-proline strontium chloride monohydrate (l-PSCM). Single crystals have been grown using the slow solvent evaporation technique. Single crystal XRD analysis confirmed that the crystal belongs to the orthorhombic structure with lattice parameter a=6.6966(3) Å, b=12.4530(5) Å, c=15.2432(5) Å and space group P2₁2₁2₁. Presence of various functional groups in l-PSCM and protonation of the ions were confirmed by Fourier transform infrared spectroscopy (FT-IR) analysis. The melting point of the single crystal was found to be 126 °C using DSC. Ultraviolet-visible spectral analyses showed that the crystal has low UV cut-off at 226 nm combined with very good transparency of 90% in a wide range. The optical band gap was estimated to be 5.82 eV. Capacitance and dielectric-loss measurements were carried out at different temperatures in the frequency range 1 kHz-2 MHz. The dielectric constant and loss factor were found to be 21 and 0.03 at 1 kHz at room temperature, respectively. Microhardness mechanical studies show that hardness number (H_v) increases with load for l-PSCM single crystals the by Vickers microhardness method. Second harmonic generation (SHG) efficiency was found to be 0.078 times the value of KDP.     

Crystal growth,structural, linear and nonlinear optical studies of 4-methyl-4′-N’-methylstilbazolium tosylate single crystals

Organic 4-methyl-4′-N’-methylstilbazolium tosylate, a new derivative of the stilbazolium tosylate family compound was synthesized by condensation method. The optical quality single crystals with dimension 5 mm × 4 mm × 2 mm were grown by slow evaporation technique at 40 °C. The crystal system and lattice parameters were found from single crystal X-ray diffraction studies. The optical transmittance, cut-off wavelength (402 nm) and band gap energy (3.09 eV) were estimated by UV–visible studies. The surface laser damage threshold study was carried out for MMST crystal using Nd:YAG laser. The third-order nonlinear optical susceptibility (χ³) for MMST crystal was estimated by employing Z-scan technique using 1064 nm laser.     

Growth and characterization of a novel organic nonlinear optical material: l-alanine 2-furoic acid

l-alanine 2-furoic acid (LA2FA), a novel organic third order nonlinear optical material was grown by slow solvent evaporation technique at room temperature. The grown single crystals were characterized by XRD, spectral, thermal, optical, dielectric and third order nonlinear properties. LA2FA crystallizes into triclinic system with the space group P1. The cell parameters are found to be a = 3.97 Å, b = 7.09 Å, c = 10.69 Å, α = 73.61°, β = 83.57°, γ = 84.21° and V = 286 Å3. The modes of vibrations of different molecular groups present in LA2FA were identified by FTIR studies. The optical transparency of the grown crystals was investigated by UV–visible spectrum. The absorption spectrum reveals that the crystal has a high UV cut off of 245 nm and photonic band gap of 2.5 eV. The scanning electron microscope (SEM) study has been carried out to determine the surface morphology of the grown crystal. The thermal behavior of the crystal investigated using thermo gravimetric (TG) and differential thermal analysis (DTA) indicates that the material does not decompose before melting. The third order NLO property was studied in detail by z-scan technique.     

Crystal growth and characterization of l-phenylalaninium trichloroacetate—A new organic nonlinear optical material

Amino acid based crystals exhibit excellent nonlinear and electro-optical properties. A new nonlinear optical single crystal l-phenylalaninium trichloroacetate (LPTCA) belonging to the amino acid group was grown by the slow evaporation solution growth method. The grown crystals have been subjected to powder X-ray diffraction studies to identify the crystalline nature. Single crystal X-ray diffraction study showed that LPTCA belongs to monoclinic crystal system. Fourier transform infrared study is used to confirm the presence of various functional groups in the grown crystal. Optical transparency of the grown crystals was investigated by UV-vis-NIR spectrum. The lower optical cutoff wavelength for this crystal is observed at 254 nm and energy band gap is 4.89 eV. Thermal properties of the LPTCA crystal were studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA) techniques, which indicate that the material does not decompose before melting. The melting point of grown crystal was observed to be 136 °C in a melting point apparatus. The existence of nonlinear optical (NLO) property of LPTCA was confirmed by second harmonic generation test using Nd:YAG laser fundamental wavelength of 1064 nm.     

Structural, optical and electrical studies on amino acid based new GBC crystals having non linear optical response

Transparent crystals of α-glycine with barium nitrate and calcium nitrate (GBC) have been grown from aqueous solution by slow evaporation technique at room temperature. Crystals of size 22 × 25 × 4 mm³ have been obtained in 3-4 weeks time. The solubility of GBC has been determined in water. The grown crystal belongs to orthorhombic system with cell parameters a = 12.7321 A.U, b = 13.7752 A.U and c = 8.6002 A.U with unit cell volume of 1508.36 (A.U)³. Comparative IR and Raman studies indicate a molecule with a lack of center of symmetry. A wide transparency window useful for optoelectronic applications is indicated by the UV Studies. Using Nd:YAG laser (1064 nm), the optical second harmonic generation (SHG) conversion efficiency of GBC is found to be 0.702 times than that of standard KDP. On exposure to light the GBC crystals exhibit positive photoconductivity. I-V characteristics, dielectrics studies, electrical and Vickers micro hardness measurement have been carried out. The GBC crystal exhibits more mechanical strength compared to the reported GSN crystals.     

Third order nonlinear optical properties of potassium dichromate single crystals by Z-scan technique

Single crystal of potassium dichromate (KDC) has been grown from aqueous solution by slow evaporation technique. The lattice parameters of the grown crystal were determined by X-ray diffraction analysis. The optical absorption studies reveal that the crystal has UV cut-off wavelength around 240 nm. Thermo gravimetric and differential thermal (TGA/DTA) studies revealed that the crystal thermally stable up to 397.1 °C. The mechanical strength of the grown crystal was carried out by Vickers micro hardness test. The crystal perfection was confirmed by etching studies. Third order nonlinear optical studies was performed using by single beam Z-scan technique using continuous Nd:YAG laser. Closed aperture Z-scan studies reveal the negative nonlinearity in the crystals and open aperture Z-scan reveals the saturation absorption. Also various parameters such as nonlinear refractive index n₂, absorption co-efficient β and nonlinear optical susceptibility χ⁽³⁾ were calculated for the grown crystal.     

Studies on the optical and mechanical properties of organic nonlinear optical 1-(4-fluorostyryl)-4-nitrostilbene (FNS) single crystal

A new organic nonlinear optical material 1-(4-fluorostyryl)-4-nitrostilbene (FNS) has been synthesized and single crystals of FNS were grown using solvent evaporation solution growth technique (SESGT) by 2-butanon solvent. Single crystal x-ray diffraction analysis reveals the unit cell parameters of the grown crystal are a = 9.494(4) Å, b = 9.864(2) Å, c = 19.501(7) Å and it belongs to monoclinic system with noncentrosymmetric space group. Optical transmittance of the grown crystal has been studied by UV-Vis-NIR spectrum. The optical properties of FNS have been studied by means of optical transmittance measurements in the wavelength range of 190–1100 nm The optical constants were calculated from the optical transmittance (T) data such as refractive index (n), extinction coefficient (k) and reflectance (R). The optical band gap (E_g) of FNS is 3.27 eV with direct transition. The complex dielectric (?) constant of the grown FNS crystal was determined. The second harmonic generation (SHG) efficiency of the grown FNS crystal has been studied by using Kurtz-Perry powder technique and it shows 12 times relatively greater than KDP.     

Structural, dielectric and piezoelectric properties of nonlinear optical γ-glycine single crystals

Gamma glycine was synthesized and the single crystals were grown by the slow evaporation method in the presence of lithium nitrate. Structure and crystalline nature of the grown γ-glycine crystal was confirmed by X-ray diffraction technique. It was found to crystallize in the trigonal system with space group P3₁. The chemical composition was determined by NMR. Fourier transform infrared studies revealed the functional groups present in the grown crystal and UV-vis-NIR spectra revealed the transmission properties of the crystal specimen. Surface morphology of the grown crystal was studied by scanning electron microscopy (SEM) and elemental composition was confirmed by energy-dispersive spectrometry (EDS). The second-order nonlinear optical property of the material was investigated by Kurtz powder technique and the relative second harmonic efficiency of γ-glycine was estimated to be higher than that of KDP. The dielectric measurement was carried out as a function of frequencies at room temperature and the results were discussed. The samples have shown piezoelectric behavior with a fairly good piezoelectric charge coefficient (d₃₃) of 7.37 pC/N. Photoluminescence studies showed emission peak around 350 nm. Thermo gravimetric and differential thermal analyses were employed to understand the thermal and physio-chemical stability of the synthesized compound.     

EPR and optical investigation of VO(II) in Zn(C3H3O4)2(H2O)2 single crystals: An interstitial site

EPR spectroscopic investigations on single crystals of diaquabis[malonato(1-)-κ²O,O′] zinc(II) doped with VO(II) ion have been carried out at X-band frequencies and at 300 K. The single crystal, rotated along the three mutually orthogonally axes, has yielded spin-Hamiltonian parameters g and A as: g_xx=1.980, g_yy=1.972, g_zz=1.937 and A_xx=8.4, A_yy=6.1, A_zz=18.1 mT, respectively. These spin-Hamiltonian parameters reflect a slight deviation from axial symmetry to rhombic, which is elucidated by the interstitial occupation of vanadyl ions. The isofrequency plots and powder EPR spectrum have been simulated. The percentage of metal-oxygen bond has been estimated. The optical absorption spectrum exhibits four bands at 257, 592, 720 and 764 nm suggesting a C_4v symmetry. The admixture coefficients and bonding parameters have also been calculated by collaborating EPR data with optical data.     

Optical,spectral and thermal properties of organic nonlinear optical single crystal: 2,3-Dimethoxy-10-oxostrychnidinium hydrogen oxalate dihydrate

The potential organic nonlinear optical single crystal of 2,3-dimethoxy-10-oxostrychnidinium hydrogen oxalate dihydrate has been grown by slow evaporation solution growth technique (SEST) using ethanol–water solution at room temperature. The powder X-ray diffraction study reveals that the crystal belongs to orthorhombic system with non-centrosymmetric space group P2₁2₁2₁ and the cell parameters are a = 7.61 Å, b = 10.73 Å, c = 29.49 Å, V = 2410.75 Å³. The functional groups of the synthesized compound have been identified by FT-Raman and FTIR analyses. Photoluminescence spectroscopy study is determined to explore its efficacy towards device fabrications. Birefringence measurement has been carried out in order to analyze the optical homogeneity of the grown crystal. The optical constants such as reflectance (R) and extinction coefficient (K) have been determined from the transmittance data. The relative second harmonic efficiency of the compound is found to be 4 times greater than that of KDP. DTA-DSC measurements indicate that the crystal is thermally stable up to 174 °C.     

Growth, optical, dielectric and ESR studies on tetrathiourea mercury(II) tetrathiocyanato manganate(II): An organometallic complex NLO crystal

Single crystals of tetrathiourea mercury(II) tetrathiocyanato manganate(II); Hg(N₂H₄CS)₄Mn(SCN)₄, (TMTM) were grown by slow solvent evaporation technique. The grown crystals were confirmed by single crystal and powder X-ray diffraction analysis. The optical absorption spectrum of TMTM in a mixed solvent of acetone and water shows the near ultra-violet cut-off wavelength corresponding to the absorption maximum as 335 nm. FT-IR spectrum identifies the characteristic absorption bands of thiourea and thiocyanate in both middle and far infrared regions, which further confirm the incorporation of both the ligands in the resulting compound. The electron spin resonance spectrum of TMTM was recorded both at room temperature and −196 °C, which reveals that the Mn environment is symmetrical with respect to the NCS ligand distribution. It is also interesting to note that there is no hyperfine coupling between Mn nucleus and its free electrons at both room temperature and −196 °C. The dielectric constant as well as dielectric loss of the sample were calculated for varying frequencies under different temperatures.     

Synthesis,growth and characterization of l-threonine zinc acetate (LTZA) NLO single crystal

Single crystals of l-threonine zinc acetate (LTZA) were grown from an aqueous solution by slow evaporation technique. Single crystal X-ray diffraction analysis reveals that the crystal belongs to monoclinic system. The optical transmission study reveals the transparency of the crystal in the entire visible region and the cut off wavelength has been found to be 350 nm. The optical band gap is found to be 3.55 eV. The microhardness studies reveal the mechanical strength of the grown crystal. The dielectric constant and dielectric loss were carried out for the grown crystal. Photoconductivity measurements carried out on the grown crystal reveal the negative photoconducting nature.     

Crystal growth,structural and optical properties of an organic ion-complex crystal: 4-N,N-dimethylamino-4′-N′-methylstilbazolium iodide

4-N,N-dimethylamino-4′-N′-methylstilbazolium iodide (DMSI) compound was synthesized by Knoevenagel reaction method and the crystals were grown by solution growth method. From the single crystal X-ray diffraction study, it is confirmed that DMSI crystal belongs to monoclinic system. The bond-length alternation (BLA) of the DMSI molecule was found to be 0.11 Å, which is responsible for quadratic NLO response. The electronic transition properties and optical constants such as energy gap (E_g), linear refractive index (n₁) were determined using UV–visible and photoluminescence spectral studies. The second order nonlinear optical property of the crystal was examined using Kurtz–Perry powder test. Laser induced damage threshold on (0 0 1) plane of the optically polished crystal was found to be 1.24 GW/cm².     

Morphology and fluorescence spectra of rubrene single crystals grown by physical vapor transport

Rubrene single crystals with pentagon, hexagon, lath-like, and needle-like shape were grown by physical vapor transport. The morphology of surface and transect of rubrene crystals was characterized by optical microscope, atomic force microscope and scanning electron microscope. Monolayers and layer-like structures were observed on the rubrene crystal surface and in the interior of single crystals, respectively. Size and quality of rubrene crystals could be controlled by tuning growth parameters including source temperature, deposition temperature, and growth time. Compared with the emission peak at 555 nm of rubrene solution with the concentration of 10⁻⁵ M, the emission peak of rubrene single crystals is at 649 nm with a shift of 94 nm. Hexagon etching pits with typical ladder-like structure were also observed on the (1 0 0) crystal plane and the density of dislocation lines is about 10³ cm⁻².     

Optical and EPR study of BaY2F8 single crystals doped with Yb

Optical and electron paramagnetic resonance study have been carried out on BaY₂F₈ single crystals doped with Yb ions at 0.5 and 10 mol%. The crystals have been obtained using the Czochralski method modified for fluoride crystal growth. Optical transmission measurements in the range of 190-3200 nm and photoluminescence measurements were carried out at room temperature. Absorption spectra of BaY₂F₈ single crystals doped with Yb due to the ²F_7/2→²F_5/2 transitions have been observed in the 930-980 nm range. To analyze the possible presence of Yb²⁺ ions in the investigated crystals, irradiation with γ-quanta with a dose of 10⁵ Gy have been performed. The observed photoluminescence bands show usual emission in IR and other one in VIS, being an effect of cooperative emission of Yb³⁺ ions and energy up-conversion transitions of photons from IR to UV-vis(visible) due to hoping process between energy levels of paired Yb³⁺ and Er³⁺, where Er³⁺ ions are unintentional dopants. The EPR spectra of BaY₂F₈:Yb 10 mol% consist of many overlapping lines. They have been analyzed in terms of spin monomers, pairs, and clusters. The angular dependence of the resonance lines positions have been studied also to find the location of coupled ytterbium ions in the crystal structure.     

Crystal growth, thermal and optical studies of nonlinear optical material: Glycine potassium sulphate

A new nonlinear optical material glycine potassium sulphate (GPS) has been synthesized and optical quality crystals were grown from aqueous solution. This material has positive temperature coefficient revealed from the solubility studies. The grown crystals were characterized by employing several techniques such as single crystal and powder X-ray diffraction, thermo gravimetric analysis, FTIR and UV-vis-NIR spectra. The etching studies have been done on the (1 0 0) plane of the grown crystal. Preliminary measurements to find second harmonic generation efficiency of GPS has been carried out.     

Studies on the optical and dielectric properties of a zinc thiourea chloride NLO single crystal

Single crystals of a nonlinear optical material, zinc thiourea chloride were grown by the slow evaporation technique. The crystal structure and lattice parameters of the grown crystal were determined by the single crystal X-ray diffraction studies. The single crystal XRD revealed that the material crystallized in a orthorhombic crystal system. Optical studies were carried out and it was found that the tendency of transmission observed from the specimen, with respect to the wavelength of light, is practically more suitable for opto-electronic applications. The optical band gap is found to be 4.30 eV. Optical constants such as the band gap, refractive index, reflectance, extinction coefficient and real (?_r) and imaginary (?_i) components of the dielectric constant and electric susceptibility were determined from the UV–vis–NIR spectrum. The dielectric constant and dielectric loss of zinc thiourea chloride were measured in the different frequency range from 50 Hz to 5 MHz at different temperatures. Further, electronic properties, such as valence electron plasma energy, Penn gap, Fermi energy and electronic polarizability of the grown crystal have been estimated.