Infrared optical properties of Cu1−xLixSe2 thin films

Infrared absorption spectra of Cu_1−xLi_xInSe₂ thin films are measured at room temperature in the wavenumber range from 100 to 600 cm⁻¹. The spectra exhibit two absorption bands in the wavenumber ranges 200–210 cm⁻¹ and 330–355 cm⁻¹ which are ascribed to vibrational modes due to In Se and Li Se vibrations, respectively. The influence of the phase transition from the chalcopyrite structure to the β-NaFeO₂ structure in the composition range x = 0.5–0.6 on the vibrational characteristics is established and discussed.     

Infrared lattice vibrations in Cu2GeSe3

Infrared reflectivity spectra of Cu₂GeSe₃ are measured at room temperature in the wavenumber range from 180 to 4000 cm⁻¹. From an analysis of the spectra the parameters of four vibrational modes are determined. The experimental results are compared with predictions from group theory. From a comparison of the results for Cu₂GeSe₃ with the vibrational characteristics of other chalcogenides it follows that the force constants of cation-chalcogen bonds increase with increasing valence of the cation.     

Cobalt phthalocyanine nanowires: Growth,crystal structure,and optical properties

Cobalt phthalocyanine nanowires with new crystal structure and broad optical absorption spectra were fabricated by using organic vapor phase deposition method. The morphology, crystal structure and optical properties of CoPc nanowires were characterized by SEM, X‐ray diffraction, Fourier transform infrared and UV‐visible spectroscopies. Analyses of X‐ray diffraction patterns and Fourier transform infrared spectra indicate that the crystal structure of CoPc nanowires represents a new polymorph, which is designated J‐CoPc. These J‐CoPc nanowires with high directionality (average diameter ∼50 nm) surprisingly possess much broader optical absorption spectra in the visible spectral region than those of the α‐ and β‐phase CoPc, enabling high potential for practical applications in novel molecular electronic/optical devices.     

Studies on the crystal growth,crystal structure,optical and thermal properties of an organic crystal: Benzophenone hydrazone

Single crystals of benzophenone hydrazone (BH) were successfully grown by slow evaporation method at constant temperature, 30 °C. The crystal structure of BH has been determined, and it belongs to the noncentrosymmetric space group P2₁. The grown crystal has been characterized by FT-IR). The optical transition and the lower cutoff wavelength of the BH have been identified by UV–vis–NIR studies. Thermo gravimetric analysis and differential thermal analysis have been carried out; the BH was found to be thermally stable up to 104 °C. Powder second harmonic generation (SHG) was investigated to explore its nonlinear optical (NLO) properties. The high SHG is due to one dimensional charge transfer between amine and phenyl group. Both the real ε_r and imaginary ε_i components of the dielectric constant have been calculated as functions of photon energy.     

Infrared spectra of silver complexes with 2-aminopyridine and crystal structure of the 4:3 aminopyridine-silver nitrate compound

The 43 complex formed between 2-aminopyridine (ampy) and AgNO₃ belongs to the orthorhombic space groupPccn. The unit cell of dimensionsa=7.992(4),b=16.788(5),c=21.034(8) Å contains four formula units. The structure was refined on 998 nonzero reflections toR=0.038. The crystal contains the dimeric [Ag₃(ampy)₄]³⁺ cation. Two of the three independent Ag atoms are each coordinated to two ampy ligandsvia the heterocyclic nitrogen lone pair (mean Ag-N=2.18 Å), and the N-Ag-N angle in this [ampy-Ag-ampy]⁺ unit is 154.0°. By using the two available amino groups, the [ampy-Ag-ampy]⁺ unit acts as a bidentate ligand, and two such units related by a twofold axis achieve a roughly tetrahedral environment of NH₂ lone pairs about the third Ag atom (mean Ag-N=2.39 Å). The infrared spectra of [Ag₃(ampy)₄](NO₃)₃, [Ag(ampy)₂]ClO₄, [Ag₃(ampy-H)₂]NO₃, and [Ag₃(ampy-H)₂]ClO₄, and those of their amino-deuterated derivatives, are discussed. Diagnostic regions are proposed to identify coordinationvia the amino group and the heterocyclic nitrogen atom.     

X-ray diffraction study,magnetic susceptibility,and electric properties of Cu3Fe0.5Se2 crystal

Crystallography Reports - Single crystals of the Cu3Fe0.5Se2 composition have been grown. The orthorhombic lattice parameters are found to be a = 8.169 Å, b = 8.238 Å, c = 12.052 Å,...     

Molecular polarizabilities and optical properties of fluorene crystal

Basing on polarizabilities of fluorene molecule, derived from refractive indices of the crystal, the temperature dependence of birefringence for (010) crystal plates has been discussed. It was shown that two factors contribute in the overall effect: change of density of the crystal due to thermal expansion, and a change of orientation of molecular LMN axes.     

Formation and crystal structure of 1-methyl-2-phenylindolizine-3-acetonitrile

1-Methyl-2-phenylindolizine-3-acetonitrile was unexpectedly obtained in the reaction of 1-methyl-2-phenylindolizine-3-thioaldehyde with cyanide ions. Its structure was determined by IR, ¹H NMR, MS, elemental analyses, and X-ray crystallography. Colorless regular prism shaped crystals of C₁₇H₁₄N₂ crystallize in the space group C2/c with cell dimensions a = 12.956(3) Å, b =10.516(2) Å, c = 20.429(4) Å, and = 90°, = 104.98(3)°, = 90°, V =2688.7(9) ų, D _calc =1.217 Mg/m³, and Z = 8.     

Morphology,composition, structure and optical properties of thermally annealed Cu2O thin films prepared by reactive DC sputtering method

Abstract

Thin films copper oxides are perspective materials for many optoelectronic applications, including photovoltaics. The samples were deposited on glass and silicon substrates by magnetron sputtering method using Modular Platform PREVAC. After deposition the samples were thermally treated by annealing in oxygen atmosphere for 60?min at 450?°C. Morphology confirms that all the films have crystalline structure. Optical measurements show that the films have wide band gap within the range 2.20÷2.48?eV before and 2.03÷2.40?eV after annealing. The article presents the discussion about the influence of annealing on Cu₂O thin film parameters.     

Molecular properties of local anesthetics: crystal structure of 2-diethylaminoethyl-p-nitrobenzoate hydrochloride

The crystal structure of 2-diethylaminoethyl-p-nitrobenzoate hydrochloride (C₁₃H₁₈N₂O₄, HCl) been has determined from three-dimensional diffractometer data. A detailed discussion of the molecular structure is presented, together with a comparison to other similar local anesthetic structures.     

Crystal structure and specific features of formation of vibrational spectra of Pb2GeS4

The structure of Pb₂GeS₄ single crystals is confirmed and the polarized Raman spectra of these crystals are recorded. The vibrational spectra was considered in terms of analysis of intramolecular vibrations of [GeS₄] tetrahedral formations, the main structural elements of this compound.     

Electrical conductivity and crystal structure of pure and SrCO3-doped Na2CO3

The electrical conductivity of pure and SrCO₃-doped sodium carbonate has been measured in the temperature range 310–800 °C in air using a dc technique. Its concentration dependency is similar to that of the K₂CO₃–SrCO₃ system described recently (GUTH et al. 1986). The maximum conductivity could be observed at ≈ 20 mol.% SrCO₃. At temperatures > 440 °C, the conductivity of Na₂CO₃–SrCO₃ mixtures containing up to 80 mol.% SrCO₃ is larger than that of pure Na₂CO₃. X-ray investigations of slowly cooled samples show the mixtures to be heterogeneous. X-ray diffraction patterns of quenched mixtures containing 10 mol.% SrCO₃ show reflexes of a high temperature compound. SrCO₃, however, could not be detected. The lattice constants of this hexagonal compound Na₂Sr₄(CO₃)₅ which is isotyp with Na₂Ca₂Sr₂(CO₃)₅ described by CHEN and CHAO are a₀ = (1066.1 ± 0.4) pm and c₀ = (653.2 ± 0.2) pm.     

Synthesis and crystal structure study of Y2O3 high-pressure polymorph

Single crystal high pressure polymorph of yttria was synthesized for the first time using a link–type cubic anvil apparatus. Crystal structure was refined from single crystal data. High pressure polymorph was confirmed as a monoclinic phase. Lattice parameters of the high pressure polymorph at room temperature and ambient pressure were determined as follows: a = 13.8714 Å, b = 3.4487 Å, c = 8.5862 Å, β = 100.12°.     

Hydrothermal growth and optical properties of RbBe2BO3F2 crystals

Crystals of RbBe₂BO₃F₂ up to a size of 22×18×5 mm³ have been grown by the hydrothermal method. The growth conditions were optimized mainly by adjusting the mineralizers and growth temperature. The crystals linear and nonlinear optical properties, including its transmittance spectrum and second harmonic generation from 532 to 266 nm, were measured and compared with those of flux grown crystals. A maximum conversion efficiency of 20% was obtained with a 25 ps, 10 Hz laser system. The results indicate that RbBe₂BO₃F₂ crystals grown by the hydrothermal method show similar capability for frequency conversion compared with flux grown crystals and are promising for future deep-UV harmonic generation.     

Growth,structure, and superconducting properties of Bi2Sr2Ca2Cu3O10 and (Bi,Pb)2Sr2Ca2Cu3O10‐y crystals

Large and high‐quality single crystals of both Pb‐free and Pb‐doped high temperature superconducting compounds (Bi_1‐xPb_x)₂Sr₂Ca₂Cu₃O_10‐y (x = 0 and 0.3) were grown by means of a newly developed “Vapour‐Assisted Travelling Floating Zone” technique (VA‐TSFZ). This modified zone‐melting technique was realised in an image furnace and allowed for the first time to grow Pb‐doped crystals by compensating for the Pb losses occurring at high temperature. Crystals up to 3×2×0.1 mm³ were successfully grown. Post‐annealing under high pressure of O₂ (up to 10 MPa at T = 500°C) was undertaken to enhance T_c and improve the homogeneity of the crystals. Structural characterisation was performed by single‐crystal X‐ray diffraction (XRD) and the structure of the 3‐layer Bi‐based superconducting compound was refined for the first time. Structure refinement showed an incommensurate superlattice in the Pb‐free crystals. The space group is orthorhombic, A2aa, with cell parameters a = 27.105(4) Å, b = 5.4133(6) Å and c = 37.009(7) Å. Superconducting studies were carried out by A.C. and D.C. magnetic measurements. Very sharp superconducting transitions were obtained in both kinds of crystals (ΔT_c ≤ 1 K). In optimally doped Pb‐free crystals, critical temperatures up to 111 K were measured. Magnetic critical current densities of 2�10⁵ A/cm² were measured at T = 30 K and μ₀H = 0 T. A weak second peak in the magnetisation loops was observed in the temperature range 40‐50 K above which the vortex lattice becomes entangled. We have measured a portion of the irreversibility line (0.1‐5 Tesla) and fitted the expression for the melting of a vortex glass in a 2D fluctuation regime to the experimental data. Measurements of the lower critical field allowed to obtain the dependence of the penetration depth on temperature: the linear dependence of λ(T) for T < 30 K is consistent with d‐wave superconductivity in Bi‐2223. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Bulk crystal growth of congruent MgO-doped LiNbO3 crystal with stoichiometric structure and its second-harmonic-generation properties

A new LiNbO₃ bulk crystal has been grown by doping with MgO (cs-MgO:LN; Li₂O:Nb₂O₅:MgO=45.30:50.00:4.70, (Li_0.906Mg_0.047V^Li_0.047)NbO₃), which successfully has the congruent point coinciding with the stoichiometric point. Its second-harmonic-generation (SHG) properties were evaluated. It was found that cs-MgO:LN has a much more homogeneous composition leading to uniform in-plane distribution of the non-critical phase-matching wavelength than the conventional LiNbO₃ crystals such as congruent LiNbO₃ (c-LN), stoichiometric LiNbO₃ (s-LN), and MgO-doped congruent LiNbO₃ (5MgO:LN). This homogeneity arose from the observation that none of the solute components including ionic species were segregated at the interface during growth. The SHG conversion efficiency of cs-MgO:LN is comparable to those of s-LN and 5MgO:LN.     

Study of optical and transport properties of K2CuCl4 · 2H2O single crystal

Optical absorption, transport properties and EPR of K₂CuCl₄ · 2H₂O single crystals have been studied. The optical absorption in UV, and visible region are characterized by a charge transfer band, and in the near infrared region at 3998, 4336, and 4480 cm⁻¹ are attributed to transitions between the stark levels of copper(II) ion in an extended octahedral crystal field. An anisotrophic ‘g’ value was observed with g_∥ = 2.12 and g_∥ = 2.24 by EPR method. The spin orbit coupling constant is found to be 500 cm₋₁. D.C. electrical conductivity measurements with temperature reveal an anisotropy characteristic of a two-dimensional layered structure and exhibit a first order irreversible structural phase-transition at 377 K, i.e. from tetragonal to monoclinic crystal system. X-ray diffraction studies and density calculations from the crystal structure data in both the phases suggest that the first order irreversible transition occurs following the loss of the two water molecules of hydration.