Birefringence of PbGa2S4 crystals

Birefringence of PbGa₂S₄ single crystals is studied in the spectral range of 0.45–0.8 μm at T = 300 K. The obtained results are analyzed, and conclusions on the bond character in lead thiogallate are drawn.     

Optical phonons in PbGa2S4 crystals

Raman scattering of light in a PbGa₂S₄ crystal is studied. The phonon spectrum of this crystal is calculated using factor group analysis for the first time. The number of active modes in the Raman spectrum, their symmetry, and the selection rules are determined. The modes observed in the Raman spectra are identified with the vibrations of the atoms comprising the crystal lattice of the PbGa₂S₄ compound.     

掺杂晶体Cd0.35Hg0.65Ga2S4的光学特性

研究了掺杂非线性晶体Cd0.35Hg0.65Ga2S4的线性和非线性光学特性以及相位匹配.在相同的实验条件下，与已知的中红外晶体相比较，测定了该晶体的损伤阈值.实现了CO2激光二次谐波产生实验，与理论预测相一致. 关键词： 掺杂非线性晶体 Cd0.35Hg0.65Ga2S4 二次谐波产生 CO2激光     

Calculation of optical properties of hollow-core photonic crystal fibers

We propose a method for calculation of the bandgaps in the cladding of hollow-core photonic crystal fibers, based on the Floquet theorem. The effectiveness of the approach is confirmed by estimates of the effect of the number of air channels in the cladding on attenuation of the fiber modes due to mode energy leakage from the core. We have studied the conditions for the existence of eigenmodes in the indicated fibers. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 76, No. 2, pp. 311–320, March–April, 2009.     

Far-infrared optical properties of YVO4 single crystal

Near-normal incident infrared reflectivity spectra of a (001) YVO₄ single crystal have been measured at different temperatures in the frequency region between 100 and 6000 cm^-1. The reflectivity spectra are analyzed with the factorized form of the dielectric function, and the dielectric properties and optical conductivity of the YVO₄ crystal are obtained. From the TO/LO splitting, effective charges at different temperatures are calculated to study the ionicity of YVO₄. The internal modes of the VO₄^3- ion and the external modes of the Y(VO₄) lattice are compared with SiO₄^4- in zircon and with other rare-earth vanadates.     

Modification of the dielectric properties of copper-doped CdIn2S4 single crystal

The study of the dielectric properties of a CdIn₂S₄〈3 mol % Cu〉 single crystal in alternating-current (ac) electric fields with frequencies f = 5 × 10⁴?3.5 × 10⁷ Hz has revealed the origin of dielectric loss (relaxation loss that is changed by the through current loss at high frequencies). It has been found that CdIn₂S₄〈Cu〉 has permittivity increment Δ?′ = 123, relaxation frequency f _r = 2.3 × 10⁴ Hz, and relaxation time τ = 43 μs. The doping of CdIn₂S₄ single crystal with copper (3 mol %) is established to substantially increase the permittivity (?′), dielectric loss tangent (tanδ), and ac conductivity (σ_ac). In this case, the frequency dispersion of ?′ and tanδ increases and that of σ_ac decreases.     

Single crystal growth,electronic structure and optical properties of Cs2HgBr4

We report on successful synthesis of high-quality single crystal of cesium mercury tetrabromide, Cs₂HgBr₄, by using the vertical Bridgman–Stockbarger method as well as on studies of its electronic structure. For the Cs₂HgBr₄ crystal, we have recorded X-ray photoelectron spectra for both pristine and Ar⁺ ion-bombarded surfaces. Our data indicate that the Cs₂HgBr₄ single crystal surface is rather sensitive with respect to Ar⁺ ion-bombardment. In particular, such a treatment of the Cs₂HgBr₄ single crystal surface alters its elemental stoichiometry. To explore peculiarities of the energy distribution of total and partial densities of states within the valence band and the conduction band of Cs₂HgBr₄, we have made band-structure calculations based on density functional theory (DFT) employing the augmented plane wave+local orbitals (APW+lo) method as incorporated in the WIEN2k package. The APW+lo calculations allow for concluding that the Br 4p states make the major contributions in the upper portion of the valence band, while its lower portion is dominated by contributors of the Hg 5d and Cs 5p states. Further, the main contributors to the bottom of the conduction band of Cs₂HgBr₄ are the unoccupied Br p and Hg s states. In addition, main optical characteristics of Cs₂HgBr₄ such as dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity have been explored from the first-principles band-structure calculations.     

Synchrotron reflectivity spectra and the optical properties of CuGaS2 crystal

For a CuGaS₂ crystal, the polarized spectra of complete sets of optical functions in the energy range of 0 to 24 eV are obtained for the first time. The calculations are performed using synchrotron reflectivity spectra for E ∥ c and E ⊥ c polarizations in the energy ranges of 0 to 24 eV and of 1 to 5 eV by means of computer programs using the Kramers-Kronig relations. The main features of the spectra of permittivity, characteristic electron loss, and other optical functions are determined. The band maximum energies for the volume and surface plasmons are obtained, and their independence from the type of polarization is found.     

Model pseudopotentials: Calculation of the band structure and optical properties of a CsI crystal

The model pseudopotential method is used to calculate the band structure, density of states, and imaginary part of the dielectric constant of a CsI crystal. The results are in good agreement with the experimental data.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 36–39, November, 1990.In conclusion, we thank S. N. Grinyaev for discussing the results.     

高压下BaF2光学性质的模拟计算

探寻新的冲击窗口材料是高压科学领域中的一个重要课题.为此,在100 GPa范围内,通过第一性原理方法计算了BaF₂晶体的吸收谱以及在532 nm处的折射率.结果表明:1)压力和结构相变因素不会引起BaF₂晶体在可见光区域出现光吸收;氟和钡空位点缺陷的存在将使得BaF₂吸收谱的吸收边红移,但这些红移行为不会导致该材料在可见光区域内出现光吸收的现象,由此可以初步推测,BaF₂晶体有成为冲击窗口材料的可能. 2) BaF₂的折射率在其三个结构相区都随压力的增大而增大,并且BaF₂的高压相变也使得其折射率升高;钡空位点缺陷的存在将导致其折射率减小,而氟空位点缺陷却引起其折射率增加.     

Thermal, optical, mechanical and dielectric properties of nonlinear optical crystal 4-methoxy benzaldehyde-N-methyl 4-stilbazolium tosylate

We have grown organic nonlinear optical 4-methoxy benzaldehyde-N-methyl-4-stilbazolium tosylate (MBST) crystals by slow evaporation technique. The grown crystals were analyzed by powder XRD, FTIR, NMR, UV, Thermal, mechanical and dielectric measurements. Lattice parameters and crystallinity of the crystal is confirmed by the XRD studies. The FTIR and NMR studies give the details about the various functional groups present. In order to study the optical quality of the crystal, the UV-vis absorption spectrum was recorded and cut-off wavelength was determined. Melting point of the crystal is found from the differential scanning calorimetry. The powder SHG studies were done with the Kurtz powder technique and the NLO efficiency is 17.2 times greater than that of urea. The surface of the grown crystal was analyzed with etching. Laser damage threshold studies have been carried out for the crystal using a Q-switched Nd:YAG laser of 10 ns pulses.     

Photoconductive properties of HgGa2S4

Mercury thiogallate, HgGa₂S₄ is a defect chalcopyrite semiconductor with the space group S₄² which offers a combination of attractive properties for applications.In order to obtain information about the electron states in the energy gap, photoconductivity measurements are performed in the 80–300 K range. Photoconductivity spectra show two peaks related to intrinsic and extrinsic excitation at about 410 and 500 nm, respectively; these maxima show a temperature dependence similar to the linear coefficient of the energy gap. Thermally stimulated currents have been studied by exciting the samples with intrinsic light at different temperatures. For all excitation temperatures a single TSC peaks were obtained. The analysis of TSC curves allowed one to estimate the kinetics of the trap emptying, trap energy distribution and thermal activation energy.A model for the level distribution in the semiconductor energy gap is suggested which in good agreement with the results of a previous photoluminescence study.     

Electronic properties of MgIn2S4 and CdIn2S4 by the self-consistent pseudopotential method

Summary The electronic properties of CdIn₂S₄ and MgIn₂S₄ are studied in the self-consistent local-density pseudopotential scheme based on hard-core atomic potentials. Our self-consistent calculation confirms the assumptions of previous empirical studies and provides for the lowestenergy gap values which agree with experimental data. The electron charge densities indicate that both sulphospinels are highly ionic. The two compounds have similar ground-state properties but different conduction bands. Paper presented at the ?V International Conference on Ternary and Multinary Compounds?, held in Cagliari, September 14–16, 1982.     

Investigation of crystal structure and nonlinear optical properties of 2-methoxyanilinium nitrate

Single crystals of a new hybrid compound salt: 2-methoxyanilinium nitrate were prepared by slow evaporation at room temperature of diluted aqueous solutions containing 2-methoxyaniline with nitric acids. The compound crystallizes in a space group Pcab of orthorhombic system with cell parameters a = 8.8784 (6) Å, b = 10.6348 (7) Å, c = 18.3045 (7) Å, V = 1728.31 (17) ų at T = 100 K and Z = 8. The structure has been refined to an R-value of 0.044 for 1956 observed reflections using three-dimensional X-ray diffraction data. Third-order nonlinear optical susceptibility (χ^〈3〉) was measured by degenerate four wave mixing (DFWM) method at 532 nm. Third harmonic generation (THG) measurements at the 1064 nm were carried out for the 2-methoxyanilinium nitrate crystal with the following dimensions: 4 × 9 × 0.5 mm.     

掺杂晶体Cd_(0.35)Hg_(0.65)Ga_2S_4的光学特性

研究了掺杂非线性晶体Cd0 35Hg0 6 5Ga2 S4 的线性和非线性光学特性以及相位匹配 .在相同的实验条件下 ,与已知的中红外晶体相比较 ,测定了该晶体的损伤阈值 .实现了CO2 激光二次谐波产生实验 ,与理论预测相一致     

AC electrical properties of FeIn2S4

The frequency and temperature dependences of the ac capacitance and resistivity of FeIn₂S₄ semiconductors are studied. Resonances are observed at certain temperatures in the frequency range (2.5–5.0) × 10⁵ Hz. The permittivity of the crystals and the activation energy of charge carriers are determined. It is found that electrical conduction in the given temperature interval is governed by an activation mechanism. The activation energy is frequency-dependent, because the relaxation time of barrier layers decreases with rising frequency.     

Equilibrium properties of the layer α-ZnIn2S4

Summary The ternary ZnIn₂S₄ is a semiconductor with a number of layerlike polytypes coordinated by both tetrahedral and octahedral bonds. The equilibrium properties of the α-phase are investigated self-consistently by using normconserving pseudopotentials. In particular we study in the Hellmann-Feynman scheme the relationship between atomic displacements and crystal stability by minimizing the forces acting on the anions. The resulting charge density maps are analysed and discussed. Work partially supported by Italian CNR through: Progetto finalizzato Sistemi informatici a Calcolo Parallelo under Grant n. 89.00006.69.     

Microscopic theory of optical properties of crystal surfaces

Light-propagation equations at crystal surfaces are solved in the long-wavelength limit, fully accounting for surface anisotropy, inhomogeneity and non-locality of the dielectric susceptibility tensor. Local-field and excitonic effects are also accounted in principle. Equations allowing calculation of internal and external reflectivity coefficients are given and used to analyze experimental data.     

Anisotropic transport and optical properties of superconducting (La1-xSrx)2CuO4 single crystal thin films

An experimental study on the resistivity, Hall coefficient, upper critical field, and optical reflection and transmission characteristics is described for single-crystalline superconducting (La_1-xSr_x)₂CuO₄ thin films epitaxially grown on SrTiO₃ single crystal substrates by rf magnetron sputtering. These properties exhibit pronounced anisotropy between the c-axis direction and the Cu-O plane. The characteristics are consistently explained from the point of view of the two-diemensional (2D) electronic structure. The most noteworthy implication of the experimental results is that the transport along the c-axis is far from an itinerant picture. This leads to the idea that the superconductivity in the series of cuprate materials is caused by the 2D electronic system arising from the Cu-O planes, and some interactions between them, which is not possibly due to itinerant carriers.