Effect of Ni on the structural, optical, thermal and dielectric properties of ADP single crystals

The effects of the addition of Ni²⁺ on the growth and various properties of ammonium dihydrogen phosphate single crystals grown from aqueous solution by the slow evaporation method have been studied. The grown crystals were subjected to HRXRD, UV-Vis, TG/DTA and dielectric studies. The structural perfection of the grown crystal has been analyzed by high resolution X-ray diffraction rocking curve measurements. UV-Vis studies show that the grown crystal has good transparency in the entire visible region which is an essential requirement for a nonlinear crystal. Higher decomposition temperature was observed from TG/DTA. Dielectric constant and dielectric loss were measured for the grown crystal for different frequencies and temperatures.     

Synthesis,growth, optical,mechanical and electrical properties of <Emphasis Type="Italic">L</Emphasis>-lysine <Emphasis Type="Italic">L</Emphasis>-lysinium dichloride nitrate (<Emphasis Type="Italic">L</Emphasis>-LLDN) single crystal

Semi-organic nonlinear optical material, L-lysine L-lysinium dichloride nitrate (2C₆H₁₅N₂O₂⁺_{2}^{+} · H⁺ · NO₃^-_{3}^{-} · 2Cl⁻) was synthesized at room temperature. Single crystals of L-LLDN were grown by slow cooling solution growth technique. The grown crystal was confirmed by powder X-ray diffraction analysis. The crystalline perfection of the grown single crystal was characterized by high-resolution X-ray diffraction (HRXRD) studies. The cut-off wavelength was determined by UV-vis transmission spectral analysis. The frequency doubling of the grown crystal was confirmed by powder second harmonic generation (SHG) measurement. The refractive index and birefringence of the crystal were determined using He–Ne laser source. Mechanical property of the crystal was determined by Vickers hardness tester. The frequency and temperature dependence of dielectric constant (ε _r), dielectric loss (tan δ) and a.c. conductivity (σ _ac) were also measured.     

Infrared,Raman, electrical and thermal analysis of lithium sulphate monohydrate single crystals

In this work, single crystals of lithium sulphate monohydrate were grown by slow evaporation technique. Structural studies of the grown crystals were carried out by powder X-ray diffraction technique showing a monoclinic structure. Effect of temperature on the vibrational modes of different groups was observed and analyzed by Fourier transform infrared and Raman spectroscopy. The temperature dependent dielectric behaviour and ac conductivity of the grown crystals were also studied. The effect of temperature on the vibrational spectra as observed by Fourier transform infrared and Raman spectroscopy were correlated with the electrical behavior of the crystals. The relaxation studies were also undertaken using the complex-modulus M^* formalism which showed a thermally activated relaxation caused by the hopping motion of H⁺ ions in the crystal. All the observed characteristics were found to be closely related with water loss in the crystal structure. Thermal analysis of the grown crystal was carried out by using differential scanning calorimetric technique yielding various thermodynamic parameters such as ΔH, ΔS and ΔC_p. The activation energy for the dehydration step of lithium sulphate monohydrate was also evaluated by using Coats-Redfern integral method.     

Growth,structural, optical,DFT, thermal and dielectric studies of N-Benzyl-3-nitroaniline (B3NA): a promising nonlinear optical crystal

The non-linear optical material N-Benzyl-3-nitroaniline was synthesized and grown through an aqueous solution using a low temperature solution growth technique. This conforming monoclinic crystal structure with the P2₁ space group was established by the characterization study of single crystal X-ray diffraction. A powder X-ray diffraction analysis was performed to confirm crystalline nature. As one of the functioning groups of nitro-aniline revealed using the Fourier transform infrared spectrum and the prominent spectral band seen at 3404 cm^?1 is caused by stretching vibrations of the N–H group. The lower cut-off wavelength of the ultra violet-visible absorption and emission spectrum was found to be about 320 nm as the excitation of fluorescence and the emission of blue and red colors are expected at 459 nm and 688 nm. To determine the difference in energy between HOMO and LUMO by 9.6258, using the B3LYP/6-311G++ (d,p) method. The time-based DFT technique was used to calculate the first-order hyperpolarization (β)?=?1.214?×?10^–30 esu. Thermo gravimetric and differential thermal analysis measurements were used to determine the crystal’s moisturing toughness up to 282.87 °C. The relative dielectric constant changes with frequency. Kurtz Perry’s method confirmed 1.66 times the efficiency of second harmonic generation to this present crystal comparing KDP crystal. This data shows that there is a significant amount of promise that is used in optoelectronic materials.

     

Growth and characterization of an organic nonlinear optical crystal: Glycinium trichloroacetate

Single crystal of glycinium trichloroacetate, an organic nonlinear optic (NLO) material, has been grown by slow solvent evaporation technique at room temperature. The grown crystal was subjected to single crystal X-ray diffraction for confirming the coordination formed, and the presence of various functional groups was studied by FTIR in the range 4000–450 cm⁻¹. UV–Visible transmittance studies were performed to analyze optical transparency of the crystal and second harmonic generation was investigated to explore the NLO property of the material. Thermogravimetric and differential thermal analysis have been performed to study thermal properties of the grown crystal. Dielectric constant and dielectric loss were studied at different temperatures and frequencies. Vicker's microhardness testing was carried out on the as grown crystal to reveal the mechanical properties of the crystal. Etching studies were made on the as grown crystal to analyze the structural imperfection of the crystal.     

Structure,crystalline perfection,mechanical, second harmonic generation efficiency,laser damage threshold and piezoelectric properties of bis nicotinamidium bis D-tartrate 1.25-hydrate single crystals

Bis nicotinamidium bis D-tartrate 1.25-hydrate single crystals have been grown by slow evaporation solution growth technique. Single crystal X-ray diffraction study indicates that the grown crystal crystallizes in monoclinic system with space group P2₁. Crystalline perfection of the crystal has been evaluated by high resolution X-ray diffraction technique and it reveals that the crystal is free from structural grain boundaries. Mechanical stability of the crystal has been analyzed by Vickers microhardness measurement and it exhibits reverse indentation size effect. The second harmonic generation efficiency of the grown crystal has been checked and its value is 1.24 times that of potassium dihydrogen phosphate. The surface laser damage threshold for the crystal has been analyzed and its value is 0.644 GW/cm². Piezoelectric d₃₃ co-efficient for the crystal has been examined and its value is 29.8 pC/N.     

Growth,characterization and dielectric property studies of gel grown barium succinate single crystals

. Single crystals of barium succinate (BaC4H4O4) were grown in silica gel medium using controlled chemical reaction method. Plate-like single crystals of size up to 3 × 2 × 0·2 mm³ was obtained. Single crystal X-ray diffraction (XRD) studies confirmed that structure of the title compound is tetragonal. Powder X-ray diffraction (PXRD) pattern of the grown crystal and the Fourier transform infrared (FT–IR) spectrum in the range 400–4000 cm^–1 are recorded. The vibrational bands corresponding to different functional groups are assigned. Thermal stability of the grown crystals is confirmed by differential scanning calorimetry (DSC). Dielectric constant and dielectric loss have been calculated and discussed as a function of frequency at different temperatures.     

A study on the <Emphasis Type="SmallCaps">l</Emphasis>-lysine-iodic acid: semi organic non linear optical single crystals for electro-optic applications

Non linear optical single crystals of l-lysine-iodic acid (LLI) of dimensions upto 24?×?14?×?5 mm³ have been grown successfully by slow evaporation technique from aqueous solution. The crystal structure of the grown material was solved by single crystal X-ray diffraction analysis and it was found that the LLI crystal belongs to monocinic system with space group P2₁. Functional groups of the grown crystal were identified by Fourier Transform Infrared (FTIR) spectral analysis. The UV–Vis spectral analysis was carried out to measure the transparent range of the LLI crystal which is nearly 85% and the band gap energy is found to be 5.51 eV. Thermal stability and decomposition temperature of LLI crystal was found by means of TGA and DTA analyses. The mechanical behavior of the grown crystal has been employed using Vicker’s micro hardness technique. The Second Harmonic Generation (SHG) efficiency of the crystal was investigated and it was found to be 3.2 times of KDP. The particle size dependent SHG studies of LLI crystals were performed using Nd:YAG laser. The laser damage threshold value of LLI crystal is found to be 8.54 GW/cm². Dielectric study indicates the reasonable dielectric constant and low dielectric loss of LLI crystal which are essential properties to develop optoelectronic devices. The ac and dc electrical conductivity measurements were carried out at various temperatures. Photoconductivity study exhibits the negative photoconductivity nature of the LLI crystal and the results are discussed for the first time.     

Growth and characterization of a new NLO material: l-Glutamic acid hydro bromide [l-GluHBr]

l-(+)-Glutamic acid hydro bromide, an isomorphic salt of l-glutamic acid hydrochloride, was synthesized and the synthesis was confirmed using Fourier transform infrared analysis. Solubility of the material in water was determined. l-Glutamic acid hydro bromide crystals were grown by low temperature solution growth using the solvent evaporation technique. Single crystal X-ray diffraction studies were carried out and the cell parameters, atomic co-ordinates, bond lengths and bond angles were reported. High-resolution X-ray diffraction studies were carried out and good crystallinity for the grown crystal was observed from the diffraction curve. The grown crystals were subjected to dielectric studies. Ultraviolet-visible-near infrared spectral analysis shows good optical transmission in the visible and infrared region of the grown crystals. The second harmonic generation efficiency of l-glutamic acid hydro bromide crystal was determined using the Kurtz powder test and it was found that it had efficiency comparable with that of the potassium di-hydrogen phosphate crystal.     

Growth, thermal, dielectric and mechanical studies of triglycine zinc chloride, a semiorganic nonlinear optical material

Triglycine zinc chloride, a semiorganic material, has been grown by slow solvent evaporation technique from a mixture of aqueous solution of glycine and zinc chloride in 2:1 molar ratio at room temperature. The grown crystal is up to the dimension of 45 × 23 × 18 mm³. Characterization of the crystals was made using single-crystal X-ray diffraction for obtaining unit cell parameters. Powder X-ray diffraction was recorded and the major peaks were indexed. Simultaneous thermogravimetric analysis and differential thermal analysis were carried out for the as grown crystals to determine the thermal stability of the crystal. The crystals were further characterized by UV-Vis-NIR transmission spectrum in the range of 200 to 1100 nm. Dielectric constant and dielectric loss measurements were carried out at different temperatures and frequencies. Mechanical studies were carried out on the as grown crystal.     

Synthesis,crystal growth,structural, spectral,thermal, mechanical,linear and nonlinear optical studies of organic single crystal 4-Iodo 4-nitrostilbene (IONS): A potential NLO material

An organic nonlinear optical material 4-Iodo 4-nitrostilbene (IONS) has been synthesized and good optical quality single crystal was grown from ethyl methyl ketone solvent by the solution growth technique. Single and powder X-ray diffraction analyses reveals that the grown crystal belongs to monoclinic crystal system with noncentrosymmetric space group ‘P2₁’ and it has good crystalline nature. Functional groups and molecular structure of the title compound were confirmed by FTIR and ¹H NMR respectively. The UV–Vis–NIR absorption study reveals no absorption in the visible region and the cut-off wavelength was found to be at 412.84 nm, TG/DTA, mass spectral analysis, photoluminescence and microhardness studies have been carried out for the grown crystals and results are discussed in detail. The second harmonic efficiency of the IONS was determined by Kurtz–Perry powder technique which reveals that the IONS crystal (3.1 V) has greater efficiency i.e., 143 times to that of KDP (21.7 mV).     

Investigating optical,electrical, and mechanical traits of thiourea admixtured KDP single crystals to explore NLO device applications

The 0.5 and 1 mol% thiourea “mixed” potassium dihydrogen phosphate (KDP) crystals have been developed by conventional slow solution evaporation method. The crystallographic parameters of grown crystals have been determined by employing single crystal X-ray diffraction technique. The functional groups of grown crystals were successfully identified by means of FTIR spectral analysis. The optical transmittance is 79%, 84%, and 89% for KDP, 0.5 mol thiourea mixed KDP, and 1 mol thiourea mixed KDP crystal. The energy band gap (E_g) of KDP, 0.5 mol thiourea mixed KDP, and 1 mol thiourea mixed KDP crystal is 3.71 eV, 3.61 eV, and 3.75 eV, respectively. The Kurtz–Perry test has been employed to determine the SHG efficiency and SHG efficiency of 0.5 and 1 mol thiourea mixed KDP crystal is 2.09 and 2.22 times superior to KDP crystal. Effect of thiourea mixing on hardness properties of KDP crystal have been scrutinized using the Vickers microhardness studies. The frequency dependent dielectric behavior of grown crystals has been analyzed at room temperature.

     

Structural,optical, electrical properties of new hybrid organic–inorganic NLO single crystal: bis(1H-benzotriazole) hexaaqua-zinc bis(sulfate) tetrahydrate (BZS)

A new hybrid organic–inorganic nonlinear (NLO) single crystal, Bis(1H-benzotriazole) hexaaqua-zinc bis(sulfate) tetrahydrate (BZS), has been successfully synthesized and the single crystals were grown by slow evaporation solution growth technique (SESG) using Millipore water as a solvent. The structure of the BZS crystal was solved and refined by single-crystal X-ray diffraction and demonstrates that the grown crystals belong to a triclinic system with the space group P-1. The asymmetric part of the titled compound contains isolated organic cation (C₆H₆N₃)₂, metallic cation [Zn(H₂O)₆]²⁺, sulfate anion (SO₄)^2? and free H₂O molecules. The interplay between the wide number of intermolecular interaction such as O–H···O, N–H···O, C–H···O and π–π stacking interactions were discussed. The optical transmittance spectrum shows that the crystal is excellent transmittance in the entire Vis–NIR region with the cutoff wavelength at 345 nm. The presences of expected functional groups were identified by Fourier transform infrared spectroscopy. The dielectric measurements were carried out at different temperature in the frequency range 100 Hz–5MHz. Furthermore, the studies of its third-order NLO properties using a Z-scan technique demonstrate that the BZS crystal possesses a strong reverse saturable absorption (RSA) and the self-focusing (SF) nature with large second order hyperpolarizability (γ?=?6.24?×?10^?34 esu). All the results indicate that BZS crystal might be the potential candidate for the third-order NLO applications.     

Investigation on optical,thermal, mechanical,dielectric and ferroelectric properties of non linear optical single crystal guanidinium manganese sulphate

Semi organic nonlinear optical crystal of guanidinium manganese sulphate hydrate (GuMnS) was grown from its aqueous solution by slow evaporation solution growth technique. Formation of the crystalline compound was confirmed by powder X-ray diffraction analysis (PXRD).The compound crystallizes in the triclinic crystal system with space group Pī. The functional groups present in the crystal have been identified by FTIR spectroscopic analysis. UV–Vis–NIR spectral study indicates that the grown crystal is transparent in the entire visible region with a lower cut off wavelength 229 nm and the band gap value is found to be 5.06 eV. Nonlinear refractive index (n₂), absorption coefficient (β) and third order nonlinear susceptibility (χ⁽³⁾) were determined using Z-scan technique. Thermo gravimetric and differential thermo gravimetric analyses (TG-DTG) were performed to analyse the thermal behaviour of the grown crystal. The dielectric constant and dielectric loss were studied as a function of frequency of the applied field. The ferroelectric nature of the grown crystal was analysed by P–E hysteresis loop. The mechanical behaviour of the grown crystal was studied by Vickers’s micro hardness test. The laser induced surface damage threshold (LDT) of the grown crystal was found to be 1.157 GW/cm². The obtained results show that guanidinium manganese sulphate crystals are potential materials in NLO device applications.     

Bulk crystal growth,spectral, optical,thermal, electrical and third-order NLO properties of benzylidene malononitrile derivative single crystal: a promising material for nonlinear optical device applications

Bulk organic intramolecular charge transfer nonlinear optical single crystal of 2-(2,4-dimethoxybenzylidene) malononitrile (DMM) with the sizes of 24?×?18?×?13 mm³ have been successfully grown by slow evaporation solution growth technique at 35 °C using acetone as the solvent. The lattice parameters of the grown DMM crystal was evaluated by single crystal X-ray diffraction analysis. The optical transmittance (T) data was taken from the well-polished crystal of DMM, and cut-off wavelength (λ?=?483 nm) was identified by UV–Vis spectral studies. Thermal stability and melting point (145.78 °C) were studied with TGA–DSC analysis. The low value of the dielectric constant (ε_r) of DMM suggests that the crystal can be used in the microelectronics industry. The laser-induced damage threshold experiment shows that the grown DMM bulk crystal possess an excellent resistance to laser radiation with a high threshold up to 1.75 GW/cm², much larger than those of several known organic and inorganic NLO materials. The DMM crystal exhibits positive optical non-linearity and reverse saturation absorption. It also exhibited a nonlinear refractive index (n₂) in the order of 10^?11 m²/W, a nonlinear absorption coefficient (β) in the order of 10^?5 m/W, third order non-linear susceptibility (χ⁽³⁾) in the order of 10^?5 esu and a second-order molecular hyperpolarizability (γ) in the order of 10^?33 esu. All the above results indicate that DMM has a potential application as a useful NLO candidate.     

Growth and characterization of organic material 2-hydroxypyridine single crystal by modified vertical Bridgman technique

Large size (15 mm diameter and 80 mm length) organic material 2-hydroxypyridine single crystal has been grown using the double wall ampoule with nano translation by modified vertical Bridgman technique for the first time. Material of the grown crystal was confirmed by single and powder X-ray diffraction (XRD) measurements. Fourier transform infrared (FTIR) analysis was used to identify the functional groups present in the grown crystal. High resolution X-ray diffraction (HRXRD) has been performed to analyze the crystalline perfection of the grown single crystal. The optical property of the grown crystal was analyzed by UV–vis–NIR and photoluminescence (PL) spectral measurements. The thermal characteristics of the grown crystal were analyzed by thermogravimetric (TG) and differential thermal analyses (DTA). The dielectric measurements were carried out with four different frequencies at various temperatures ranging from 308 to 373 K and the results indicate an increase in the dielectric parameters with the increase of temperature at all frequencies. The second harmonic generation (SHG) studies were used to analyze the nonlinear optical property of the grown crystal.     

Dielectric,ferroelectric and optical behaviour of terbium hydrogen tartrate trihydrate crystals

Gel diffusion technique, using agar–agar as gel medium, has been employed to obtain single crystals of terbium hydrogen tartrate trihydrate. The grown crystals are characterised by X-ray diffraction, scanning electron microscopy, CHN technique, thermogravimetric methods and UV–Vis spectroscopy. Dielectric, ferroelectric and optical studies on this metal–organic compound have been carried out. The dielectric constant has been measured as a function of temperature and frequency in the ranges of 20–250 °C and 20 Hz–3 MHz, respectively. The study of dielectric behaviour as a function of temperature reveals two dielectric anomalies at 95 and 198 °C. The dielectric anomaly at 95 °C is suggested to be due to ferroelectric phase transition brought about in the material. The study of polarisation versus electric field shows a hysteresis loop which thereby confirms the ferroelectric nature of terbium hydrogen tartrate trihydrate crystals. The dielectric anomaly at 198 °C is suggested to be due to loss of water molecules in the compound. The results of thermal study show that the material is thermally stable up to temperature of about 200 °C. Optical studies show that the terbium hydrogen tartrate trihydrate crystal has good transparency in the entire visible and infra red range of the spectrum.     

Synthesis,growth, and characterization of new stilbazolium derivative single crystal: 2-[2-(2,4-dimethoxy-phenyl)-vinyl]-1-ethyl-pyridinium iodide for third-order NLO applications

2-[2-(2,4-Dimethoxy-phenyl)-vinyl]-1-ethyl-pyridinium iodide (DMPI), a new organic stilbazolium derivative was synthesized and grown by slow evaporation technique. The crystal structure of the grown crystal was solved by single crystal X-ray diffraction analysis and it was found that DMPI crystallizes in triclinic structure with the centrosymmetric space group Pī. Various functional groups of the grown crystal were identified using FT-IR spectral analysis. The molecular structure of DMPI was further confirmed by ¹H NMR and ¹³C NMR spectral studies. The linear optical studies revealed that the grown crystal has a wide transparency range from 481 to 800 nm, which is suitable for opto-electronic and nonlinear optical applications. The luminescence spectrum of DMPI showed yellow emission radiation at 571 nm. TG/DTA analysis revealed that the grown crystal was thermally stable up to 232?°C. Microhardness studies confirmed the reverse indentation size effect of DMPI. The dielectric behaviour of DMPI was analyzed by dielectric studies with various frequencies at different temperatures. The surface damage threshold study showed that the grown crystal has higher optical radiation stability against 1064 nm Nd: YAG laser. Studies of its nonlinear optical properties using a Z-scan technique indicated that DMPI crystal possesses a saturable absorption and the self-focusing effect. Negative photo conducting nature of the grown crystal was obtained by photoconductivity measurements.     

Investigation on certain optical,thermal, and Z-scan studies of nonlinear optical tris–sarcosine calcium chloride single crystal

Slow solvent evaporation was used to produce single crystals of Tris–Sarcosine Calcium Chloride (TSCC) from aqueous solution. The cell parameters of the grown crystals were determined using the single-crystal X-ray diffraction analysis. The existence of functional groups in TSCC was confirmed using the Fourier Transform Infrared spectrum analysis. Energy-Dispersive X-ray Analysis verified the chemical composition of the TSCC crystal. The optical transmittance of TSCC was greater than 90%, according to the UV–Vis–NIR transmittance spectrum measurements. This indicates TSCC is an appropriate material for NLO applications. The optical characteristics of the grown crystal, including band gap energy, were determined. The photoluminescence characteristics of TSCC crystal were also studied in order to better understand its optical device manufacturing. The thermal behavior of TSCC was investigated using the TGA/DTA and DSC studies. For various temperatures, the fluctuation of the dielectric constant and dielectric loss with regard to frequency variation was examined and the results were described in depth. The TSCC susceptibility χ⁽³⁾ and nonlinear refractive index n₂ values were evaluated. The saturation absorption of TSCC was revealed by open aperture Z-scan technique, and the self-defocusing performance was revealed by closed aperture Z-scan measurements.

     

Studies on synthesis,growth and characterization of a novel third order nonlinear optical 4-Dimethylaminopyridinium p-Toluenesulfonate single crystal

Good quality single crystals of 4-Dimethylaminopyridinium p-Toluenesulfonate (4DMAPPTS) possessing third order nonlinearity were grown by slow evaporation solution technique (SEST). Single crystal X-ray diffraction analysis reveals that 4DMAPPTS belongs to monoclinic crystal system with centrosymmetric space group P2₁/n. FT-IR spectral studies were carried out to identify the functional groups present in 4DMAPPTS. NMR spectral study confirms the molecular structure of the grown crystal. Dielectric measurements were made over a wide range of frequencies for different temperatures. The grown crystal was subjected to Vickers microhardness test to study the mechanical property. The etching studies reveal the growth pattern and dislocations present in the grown title crystal. The important optical parameters such as absorption coefficient, extinction coefficient, refractive index and optical band gap were estimated from UV–Visible spectral analysis. The negative third order nonlinear optical parameters like refractive index (n₂), absorption coefficient (β) and susceptibility (χ⁽³⁾) were estimated by Z-scan studies.