Orientational order and molecular parameters of two nematogenic mixtures from X-ray studies: confirmation of electro-optical results

This study entails the report of X-ray studies conducted on two nematogenic mixtures (code names ZLI 1221 and ZLI 1291) containing identical moieties: phenyl cyclohexane, biphenyl cyclohexane and cyclohexyl benzoate, but exhibiting different mesogenic ranges and properties. X-ray studies have been undertaken with a view to investigate the difference in the mesogenic behaviour of the said mixtures at the molecular level. The average apparent molecular length ‘l?’ and intermolecular distance ‘D’ of the two mixtures and their variations with temperature have been determined from X-ray data. The orientational order parameters ?P ₂? and ?P ₄? and their thermal variations have also been obtained. Comparison has been made with the ?P ₂? values obtained from X-ray study with those obtained from optical study. The average apparent molecular lengths of the two mixtures corroborate the findings regarding the relative molecular weights of the two samples obtained from optical and dielectric data.     

X-ray and optical studies of an isothiocyanato liquid crystal mixture

In this work, X-ray and optical studies have been carried out on a four-component isothiocyanato liquid crystal mixture with laterally substituted fluorine atoms. Molecular characteristics, such as effective inter molecular distances and apparent molecular length of the average-simulated molecule have been determined from X-ray studies at various temperatures in the liquid crystalline phase. From the nature of molecular alignment as envisaged from X-ray photographs, the orientational order parameter and its variation with temperature have been determined. Optical studies have also been conducted at various temperatures to investigate the thermal variations of birefringence. Macroscopic orientational order parameter and its thermal variation have been determined from these studies. The nature of order parameter variation obtained from the two studies, X-ray and optical have been compared.     

Nematic liquid crystals exhibiting high birefringence

Two fluorinated isothiocyanato nematic liquid crystalline compounds, 4′-butylcyclohexyl-3, 5-difluoro-4-isothiocyanatobiphenyl and 4′-pentylcyclohexyl-3, 5-difluoro-4-isothiocynatobiphenyl are studied in detail to obtain their different physical parameters. Optical polarizing microscopy, differential scanning calorimetry, density and dielectric studies have been carried out for the two samples. Both the samples were found to have high clearing temperature (>100 °C) and exhibit small enthalpy of transition. The two samples exhibit high optical birefringence (Δn > 0.2). The values of order parameters for the two samples were obtained using different approaches, namely, Vuks’, Neugebauer’s, modified Vuks’ and direct extrapolation method from birefringence data. Experimentally obtained values of order parameters have also been compared with theoretical Maier–Saupe values. The parallel and perpendicular components of dielectric permittivity values of the two compounds were also calculated and their anisotropy values were found to be small. The effect of temperature on the molecular dipole moment μ and the angle of inclination β of the dipole axis with the director have also been investigated in this work.     

DSC,density and refractive index studies on two nematogenic p-alkylphenyl-2-chloro-4-(p-alkylbenzoyloxy)-benzoates and their mixtures

The compounds p-pentylphenyl-2-chloro-4-(p-pentylbenzoyloxy)-benzoate [PCPB] and p-octylphenyl-2-chloro-4-(p-heptylbenzoyloxy)-benzoate [OCHB], and mixtures of different mole fractions of them, show a nematic phase with a supercooling effect. From DSC studies both ΔH and ΔS at T _NI are found to have minimum values for the equimolar mixture, which happens to be an eutectic mixture (Mix-II). However the density of this mixture is found to be less than that of the pure compounds. Refractive indices (n _o, n_e) are measured by thin prism method at different temperatures for pure components and the eutectic mixture. The birefringence values of the eutectic mixture are less than those of the individual components at higher temperature region, and are in-between at lower temperatures. The principal polarizibilities (α _o, α _e) of all the compounds have been calculated using both Vuks’ and Neugebauer's methods. These values have been compared with those calculated from additivity rules of bond polarizability. The average polarizability α increases with chain length. The orientational order parameter (P ₂) at different temperatures has been calculated using Haller's extrapolation procedure. (P ₂) values of OCHB are found to be greater than those of PCPB and Mix-II at higher temperatures, and are consistent with those determined from our X-ray studies. The temperature dependence of (P ₂) of all the compounds has been compared with Maier-Saupe theoretical values.     

Study of optical parameters of two fluorinated isothiocyanato nematic liquid crystals exhibiting high birefringence

Optical studies have been carried out on two fluorinated isothiocyanato nematic liquid crystal (LC) compounds 4′-butylcyclohexyl-3, 5-difluoro-4-isothiocyanatobiphenyl and 4′-pentylcyclohexyl-3, 5-difluoro-4-isothiocynatobiphenyl. Transition temperatures of the two samples were confirmed using a polarizing microscope. The two LC compounds were found to exhibit fairly high clearing temperatures. Measurements of refractive indices of the two compounds were done by using thin prism method with He-Ne laser beam of wavelength 630 nm. Birefringence of the two LC compounds was calculated from the measured refractive indices. Both the compounds are found to display fairly high values of birefringence. Validation of a modified four-parameter model, based on Vuks equation describing the temperature dependence of refractive indices of the two liquid crystals, is also presented in this paper. The model is validated by fitting the experimentally measured values of refractive indices, birefringence and average refractive indices of the two nematic LCs with the theoretical values. In this paper, the calculation of order parameters of the LCs is presented by using two methods: direct extrapolation method based solely on the birefringence data and by using modified Vuks method based on Haller’s extrapolation. As observed from the obtained results, this procedure of calculating order parameter gives very reasonable results.     

Flow birefringence and stress optical law of viscoelastic solutions of cationic surfactants and sodium salicylate

The optical and rheological properties of different viscoelastic solutions of surfactant are studied in order to gather experimental data used to calculate the value of the stress optical coefficient C. Three surfactants of the same family (CTAB) have been chosen; they differ by the length of the hydrocarbon chain; it concerns the dodecyltrimethylammonium bromide (C₁₅H₃₄BrN or DoTAB), the myristyltrimethylammonium bromide (C₁₇H₃₈BrN or MyTAB), and the hexadecyltrimethylammonium bromide (C₁₉H₄₂BrN or CTAB). Different parameters like the temperature of the solution and the salinity of the solvent have been made to vary. Flow birefringence experiments and rheological measurements are performed on these solutions in order to study the dependence of the extinction angle , of the birefringence intensity and of the shear stress with the shear rate . These data are used to check the stress optical law which turns out to be valid in a wide range of shear rates. The stress optical coefficient C is then computed: it is found to vary with the salinity of the solvent and the temperature of the solution for a given surfactant. Then, for all solutions of this work the variations of C are related to the variations of the polarizability anisotropy and the persistence length. Received: 18 February 1998 / Revised: 23 June 1998 / Accepted: 22 July 1998     

Birefringence study on lyotropic micellar nematic phase in a binary mixture

We report the results of our studies on optical and thermal properties of two non-mesogenic compounds, namely, didodecyl dimethyl ammonium bromide (DDAB) and glacial acetic acid. The mixture exhibits schlieren texture of lyotropic micellar nematic (N_D), SmA, SmB, and SmG phases, respectively, at different concentrations of DDAB sequentially when the specimen is cooled from isotropic phase. The order parameter (S) of lyotropic micellar nematic (N_D) phase is estimated with the help of temperature dependence of optical anisotropy from the measured values of refractive index and density data. The temperature variation of order parameter of the experimental curve is in agreement with the Mayer–Saupe theoretical curve. The formation of the above phases has been confirmed by optical studies.     

YTi(Fe1-xNix)11的晶体结构和内禀磁性

当x<0.7时,YTi(Fe_1-xNi_x)₁₁可形成单相的ThMn₁₂型四方结构,空间群14/mmm。本文研究了以Ni原子代换Fe原子时,对饱和磁矩、磁晶各向异性和居里温度的影响。通过代换研究,并讨论了Fe原子和Ni原子在稀土化合物中所表现的两种不同的特性。稀土-铁(R-Fe)金属间化合物的磁性依赖于Fe-Fe近邻原子的间距和数目;而R-Ni金属间化合物的磁性取决于稀土金属传导电子对Ni的3d能带的影响。为进一步确证这 关键词：     

Investigation of the structure,physical properties,and phase transition in SrAlF<Subscript>5</Subscript>

Crystals of SrAlF₅ have been grown by the Bridgman method from the melt and by sintering of the components. Optical polarization studies and measurements of the thermal expansion and birefringence coefficients have been carried out over a wide temperature range. The electromechanical coefficient d ₃₃ has been measured, and the optical second harmonic, dielectric hysteresis loop, and optical quality of the crystal have been assessed. X-ray diffraction investigations have been performed to identify the revealed compounds. It has been demonstrated that the SrAlF₅ crystals obtained under the growth conditions chosen have I4₁/a symmetry and do not undergo structural phase transitions in the temperature range 100–800 K. Crystalline inclusions of the AlOF oxyfluoride have been revealed in crystals grown with an AlF₃ excess. The birefringence of the AlOF crystal is an order of magnitude higher than that of SrAlF₅, does not depend on temperature, and has no anomalies up to 800 K.     

Determination of the orientational order parameter of the homologous series of 4-cyanophenyl 4-alkylbenzoate (n.CN) by different methods

The orientational order parameters of a homologous series of 4-cyanophenyl 4-alkylbenzoates have been determined at different temperatures from (13)C-NMR, x-ray diffraction, optical birefringence, high resolution density and diamagnetic susceptibility anisotropy measurements. To determine the temperature dependence of the orientational order parameter from the (13)C chemical shift values, the two-dimensional polarization inversion spin exchange at the magic angle (PISEMA) method was also used for the measurement of (13)C-(1)H dipolar couplings at different sites in the oriented phase. The nematic order parameters determined from each of these methods have been compared. Apart from a slight shift in their values their trends with temperature are very similar. The differences among the results obtained by these five different methods have been discussed. From the high resolution density data, the values of the critical exponents near the T(N-I) transition are found to lie between the Ising model and tricritical behaviour.     

Ab-initio study of Li based chalcopyrite compounds LiGaX2 (X= S,Se, Te) in tetragonal symmetry: A class of future materials for optoelectronic applications

Structural, electronic, optical, and thermoelectric aspects of chalcopyrite LiGaX₂ (X = S, Se and Te) compounds have been investigated by density functional theory (DFT) based Wien2k simulator. The optimized ground state parameters are calculated by Wu-Cohen generalized gradient approximation (WC-GGA) and electronic structures, which have been further improved by modified Becke-Johnson (mBJ) potential. Moreover, a comparative study is given among the contribution of three anions (S, Se and Te) in the same symmetry of tetragonal phase. The calculated band gaps of the studied compounds are 3.39, 2.83, and 1.96 eV for LiGaS_2, LiGaSe₂ and LiGaTe₂, respectively. The observed band gaps consider the studied compounds are potential materials for optoelectronic devices. In addition, the optical response of the studied materials has been analyzed in terms of dielectric constants, refraction, absorption, reflectivity and energy loss function. We have also reported the thermoelectric properties like Seebeck coefficient, thermal and electrical conductivities, and figure of merit as function of temperatures by using BoltzTrap code. The high thermal efficiency and absorption spectra in the visible region make the studied materials multifunctional for energy applications.     

腔内双棒串接的基模动态稳定腔研究

为了获得大功率高亮度的激光光源,设计并实现了一种使用双棒串接的基模动态稳定谐振腔.通过补偿热致双折射效应以及合理地设计腔内参数,在使用闪光灯抽运的条件下获得了61W的基模连续输出.使用等效热透镜的方法分析了谐振腔参数对激光器性能的影响,解释了输出镜和全反镜的距离对激光器性能所起的不同作用. 关键词： 动态稳定腔 双棒 谐振腔模式     

Analysis of thermoelastic behaviour of MgO at high temperatures and high pressures

The thermoelastic behaviour of MgO has been studied for the temperature range (300-3000 K) under different compressions down to V/V₀=0.3. It has been shown that a comprehensive study of the thermoelastic properties of MgO can be made with the help of the Anderson-Isaak equation for thermal expansivity and the Vinet equation of state taken together. We have estimated the values of thermal expansivity α, isothermal bulk modulus K_T, their variations with pressure and temperature, the Anderson-Gruneisen parameter and the change in entropy with compression for MgO along isotherms at different temperatures. The results have been discussed and compared with the corresponding values reported in the recent literature.     

Density functional theory study of electronic,optical and transport properties of magnesium based MgY2Z4 (Z = S and Se) spinels

Magnesium based spinel chalcogenides MgY₂Z₄ (Z = S and Se) have recently become a focus of renewed research interest owing to their high magnesium mobility; making them potential candidates for Mg batteries. In addition, the existence of a >1 eV band gaps in MgY₂Z₄ compounds also make them interesting for opto-electronic device operating in the visible to UV range of electromagnetic spectrum. Our calculations indicate that the electronic properties computed using the mBJ-LDA + SOC are in good agreement with earlier DFT calculations. The optical properties of the two compounds are examined as a function of incident photon energy, which indicate that these materials can be utilized in optical devices operating in visible and UV region of electromagnetic spectrum. The transport properties are also computed using BoltzTrap code where the variation of electrical conductivity, thermal conductivity and Seebeck coefficient with chemical potential and temperature is examined.     

Elastic properties of Se and As2Se3 glasses under pressure and temperature

The sound velocities and their pressure and temperature variations of Se and As₂Se₃ glasses have been determined by means of a pulse superpositions method, and other elastic constants and their pressure and temperature derivatives were calculated from these data. The bulk modulus was found to be 94·6 kbar for Se glass and 143·7 kbar As₂Se₃ glass, both of which are higher than the values calculated from the previous compression data. No anomaly was observed in any of the pressure and temperature dependence of elastic behavior of these glassses. Furthermore, the comparison of the pressure and temperature derivatives of the bulk modulus indicates that the thermodynamic self-consistency is satisfied on these materials. The bulk moduli of these glasses and crystalline As and Se were used to obtain an empirical bulk modulus-volume relationship for compounds in the As?Se system. The acoustic Grüneisen parameter was calculated and compared with the thermal Grüneisen parameter.     

Texture and Optical Studies of the Mesophases of Cyanocyclohexyl Cyclohexanes

Optical studies have been conducted as a function of temperature on two (CCH₃ and CCH₇) of the three odd members of the homologous series of the mesogen trans, trans-4′-alkyl-bicyclohexyl-4-carbonitrite. From birefringence studies the variation of the orientational order parameter ? P₂ ? with temperature of the two members has been determined. Texture studies have been conducted to identify hitherto unidentified phases. A comparative study of the temperature dependence of the refractive indices n _e, n _o , and ? P₂ ? of all the three members CCH₃, CCH₅, CCH₇ have been presented with a view to study the effect of increasing chain length. Comparison of the experimentally obtained ? P₂ ? values has been made with theoretical values predicted by the Maier-Saupe theory.     

Phase Transition in the Compound NH3(CH2)5NH3TlCl5

Penthylene diammonium pentachlorothallate(III) exhibits a phase transition at 316 K <artwork name="GPHT21157eu1"> This transition has been characterized by optical birefringence, dielectric measurements differential scanning calorimetry and spectroscopic measurements on polycrystalline samples. The space group and the cell parameters of phase I were determined by X-ray diffraction from single crystals. Phase I has space group P2₁2₁2₁, with Z = 4, a = 7.696(3), b = 13.2890(17) and c = 13.503(18) Å. The transition is both displacive and order-disorder involving mainly conformational changes of the organic chain [NH₃(CH₂)₅NH₃]²⁺ coupled with distortion of the TlCl₆ octahedra. This behaviour and the crystal dynamics will be discussed and compared with those found in the literature for homologous compounds.     

Molecular orientation of lyotropic nematic phase in a mixture of two non-mesogenic compounds

We report the results of our studies on the optical and thermal properties of the mixture of two non-mesogenic compounds, namely, sodium dodecyl sulfate (SDS) and glacial acetic acid (GAA). The mixture exhibits very interesting schlieren texture of lyotropic micellar nematic (N_D) phase, SmA and SmB phases, respectively, at different concentrations of SDS in GAA sequentially when the specimen is cooled from its isotropic phase. The order parameter (S) of the lyotropic micellar nematic (N_D) phase is estimated with the help of temperature dependence of optical anisotropy from the measured values of refractive index and density data. The experimental curve showing the temperature variation of order parameter is very well fitted with the Mayer–Saupe theoretical curve. X-ray studies have also been discussed. The formation of the above phases has been confirmed by optical and differential scanning calorimetry studies.     

Electro-optical properties of high birefringence liquid crystal compounds with isothiocyanate and naphthyl group

Liquid crystal(LC) compound with isothiocyanate and naphthyl group is an attractive high birefringence LC material,and can be used in optical devices. In this paper, the electro-optical properties of a series of this type of LC compounds were investigated. The melting points and enthalpy values of these LC compounds were higher than those of corresponding compounds with the phenyl group. These compounds exhibited high birefringence with a maximum value of 0.66. Fluorine substitution in the molecular almost does not affect the birefringence value. When these LC compounds with the naphthyl group were dissolved in a commercial LC mixture, the electro-optical properties depending on temperature were investigated. In the low-temperature region, LC mixtures with the naphthyl-group LC compounds exhibited higher viscosity than pure commercial LCs. In the high-temperature region, viscosity values very closely approached each other. When response performance was investigated, figure-of-merit(Fo M) values were measured. The Fo M values of LC mixtures containing LC compounds with naphthyl group were lower than those of reference benzene LCs in the low-temperature region. However, in the high-temperature region, the results were reversed. These isothiocyanate LC compounds with naphthyl group can be applied in special fast-response LC device, particularly the ones used under high-temperature conditions.     

Refractive index and orientational order parameter of a polar–polar binary system showing induced smectic Ad and re-entrant nematic phases

Refractive index measurements have been done on a polar–polar binary system, 4-cyanophenyl [4′(4″-n-heptylphenyl)] benzoate (7CPB)?+?4-cyanophenyl-4-nonylbenzoate (9.CN), exhibiting nematic–smectic A_d–re-entrant nematic phase sequence using thin prism technique. From refractive index as well as density data, the polarizability anisotropy in the mesomorphic state has been calculated from the standard Vuks model and the orientational order parameter (?P ₂?) values have been determined. By measuring the refractive indices and density in the solid phase, the validity of the Haller's extrapolation method for systems having higher order phases has been verified. The temperature variation of the density, birefringence, and ?P ₂? values at the nematic–smectic A_d and smectic A_d–re-entrant nematic transitions for all the mixtures are found to be continuous. The experimental ?P ₂? values have been compared with our previous X-ray data and also those calculated from the Luckhurst and Timimi model.