Orientation effects on the bandgap and dispersion behavior of 0.91Pb（Zn_（1/3）Nb_（2/3））O_3-0.09PbTiO_3 single crystals

0.91Pb(Zn_1/3Nb_2/3)O₃--0.09PbTiO₃ (PZN--9%PT) single crystals with different orientations are investigated by using a spectroscopic ellipsometer, and the refractive indices and the extinction coefficients are obtained. The Sellmeier dispersion equations for the refractive indices are obtained by the least square fitting, which can be used to calculate the refractive indices in a low absorption wavelength range. Average Sellmeier oscillator parameters E_o, $\lambda$_o, S_o, and E_d are calculated by fitting with the single-term oscillator equation, which are related directly to the electronic energy band structure. The optical energy bandgaps are obtained from the absorption coefficient spectra. Our results show that the optical properties of [001] and [111] poled crystals are very similar, but quite different from those of the [011] poled crystal.     

Temperature-dependent Sellmeier equation for the refractive index of stoichiometric lithium tantalate

We present a temperature-dependent Sellmeier equation for the refractive index of stoichiometric LiTaO3. The extraordinary refractive index, for the range 0.39-4.1 microm and for temperatures of 30-200 degrees C, are based on previously published data [Jpn. J. Appl. Phys. 41, 465 (2002)] and on measured data derived from quasi-phase-matched (QPM) resonances. We used the new Sellmeier coefficients that we obtained to calculate the QPM wavelengths for an optical parametric oscillator (OPO) based on periodically poled stoichiometric LiTaO3 pumped at 1064 nm. The measured wavelengths of the OPO were in good agreement with our predictions.     

Effects of N-doping concentration on the electronic structure and optical properties of N-doped β-Ga₂O₃

The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O(1) atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.     

Determination and analysis of the dispersive optical constants of the 5,5′,6,6′-tetraphenyl-2,2′-bi([1,3]dithiolo[4,5-b][1,4]dithiinylidene)–DDQ complex thin film

The synthesis and optical properties of the 5,5′,6,6′-tetraphenyl-2,2′-bi([1,3]dithiolo [4,5-b] [1,4]dithiinylidene)–2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) complex thin film were investigated by the optical characterization. The optical constants such as refractive index, extinction coefficient and absorption coefficient were determined using the transmittance T(λ) and reflectance R(λ) spectra and the refractive index dispersion was analyzed using single oscillator of Wemple–Didomenico model. The single oscillator energy E₀ and the dispersion energy E_d were calculated. The effect of temperature on refractive dispersion and optical band gap E_g is also discussed. As a result, the annealing temperatures have an important effect on refractive index of thin film.     

Parametric oscillation at 2.1 μm in periodically poled RbTiOAsO4

An Nd:YAG laser-pumped periodically poled RbTiOAsO₄ (PPRTA) optical parametric oscillator (OPO) near degeneracy is reported. At a pump power of 3.7 W, a net conversion efficiency of 43% was obtained. These crystals were found to be phase-matchable for the higher order quasi-phase-matched second-harmonic generation (SHG) in the visible range. Detailed analyses of the phase-matching properties for these processes were made by using the published Sellmeier and thermo-optic dispersion formulas.     

Electronic structures and optical properties of TiO₂:Improved density-functional-theory investigation

TiO2 has been recently used to realize high-temperature ferromagnetic semiconductors.In fact,it has been widely used for a long time as white pigment and sunscreen because of its whiteness,high refractive index,and excellent optical properties.However,its electronic structures and the related properties have not been satisfactorily understood.Here,we use Tran and Blaha’s modified Becke-Johnson(TB-mBJ) exchange potential(plus a local density approximation correlation potential) within the density functional theory to investigate electronic structures and optical properties of rutile and anatase TiO2.Our comparative calculations show that the energy gaps obtained from mBJ method agree better with the experimental results than that obtained from local density approximation(LDA) and generalized gradient approximation(GGA),in contrast with substantially overestimated values from many-body perturbation(GW) calculations.As for optical dielectric functions(both real and imaginary parts),refractive index,and extinction coefficients as functions of photon energy,our mBJ calculated results are in excellent agreement with the experimental curves.Our further analysis reveals that these excellent improvements are achieved because mBJ potential describes accurately the energy levels of Ti 3d states.These results should be helpful to understand the high temperature ferromagnetism in doped TiO2.This approach can be used as a standard to understand electronic structures and the related properties of such materials as TiO2.     

Optical constants of Tl4Ga3InSe8 layered single crystals

The optical properties of Tl₄Ga₃InSe₈ layered single crystals have been studied by means of transmission and reflection measurements in the wavelength range of 500–1100 nm. The analysis of the room temperature absorption data revealed the presence of both optical indirect and direct transitions with band gap energies of 1.94 and 2.20 eV, respectively. Transmission measurements carried out in the temperature range of 10–300 K revealed that the rate of change of the indirect band gap with temperature is γ=−4.1×10⁻⁴ eV/K. The absolute zero value of the band gap energy was obtained as E_gi(0)=2.03 eV. The dispersion of the refractive index is discussed in terms of the Wemple–DiDomenico single-effective-oscillator model. The refractive index dispersion parameters: oscillator energy, dispersion energy, oscillator strength and zero-frequency refractive index were found to be 4.10 eV, 23.17 eV, 6.21×10¹³ m⁻² and 2.58, respectively. From X-ray powder diffraction study, the parameters of monoclinic unit cell were determined.     

Growth and spectroscopic characteristics of Nd-doped PbWO₄ crystal

Nd-doped PbWO4 crystals are grown by using the modified Bridgman method.The spectroscopic properties of the crystals are investigated.The changes of the absorption band at 350 nm are discussed for samples annealed at 740℃ and 1040℃.The radiative lifetime of the 4 F 3/2 level is calculated by using the Judd-Ofelt theory according to the absorption spectrum of 0.5 at.% Nd-doped PbWO 4 crystal.The spontaneous Raman scattering properties of the crystals are analysed.     

Reduction-induced polarons and optical response of Mg-doped LiNbO<Subscript>3</Subscript> crystals

We studied the visible and IR dispersion of absorption coefficient and refractive index for congruent LiNbO₃ and Mg:LiNbO₃ crystals before and after chemical reduction at different annealing temperatures. The concentration of Mg in Mg:LiNbO₃ samples was just below or above the photorefractive threshold. The reduction-induced changes in the absorption coefficient reveal the formation of polarons typical for doped LiNbO₃ crystals. It was shown that the polaron concentration is maximal when the Mg concentration is just below the photorefractive threshold and the annealing temperature is near 500 °C. This temperature is optimal for the most efficient polaron formation at all considered concentrations of Mg. The fitting of the experimental absorption dispersion curves indicates that intermediate polarons are formed in LiNbO₃:Mg crystals preferably. The spectral dependence of transmission for samples of lithium niobate of various thicknesses was studied. The results indicate that there are spatial regions with much greater absorption than that of bulk crystals. We assume that, in general, polarons are localized in thin near-surface regions. The spectral dependence of the refractive index in the vicinity of the phonon absorption edge indicates some essential changes of the phonon subsystem taking place after reduction. The infrared contribution into the dispersion of the dielectric function real part increases considerably after reduction. PACS 71.38.Ht; 71.38.-k; 78.20.Ci     

Accurate measurement of the main refractive indices and thermo-optical coefficients of the calcite crystal

The main refractive indices of calcite crystal are measured by the means of auto-collimation, and the thermo-optical coefficients are calculated. The coefficient expression of Sellmeier equation is obtained by solving Sellmeier equation strictly and the refractive indices of different wavelengths are calculated, which accord with experimental esultsery well. The measured main refractive indices of calcite at 488-nm wavelength are identical with the values obtained by Sellmeier equation.     

High-repetition-rate ultrashort-pulse optical parametric oscillator continuously tunable from 2.8 to 6.8 mum

We describe a synchronously pumped femtosecond optical parametric oscillator based on periodically poled LiNbO(3) that is broadly tunable in the mid infrared. A transmission window of periodically poled lithium niobate beyond the conventionally accepted infrared absorption edge of 5.4 mum has been exploited to produce idler pulses that are tunable across a wavelength range of 4 mum , with milliwatt-level output powers at wavelengths as long as 6.8 mum . We also present experimental tuning results that are in good agreement with the theoretical phase matching predicted from published infrared-corrected Sellmeier equations for LiNbO(3) .     

铁电单晶0.62Pb(Mg1/3Nb2/3)O3-0.38PbTiO3折射率的研究

用最小偏向角法在20℃下精确测量了0.62Pb(Mg_1/3Nb_2/3)O_{3< /sub>-0.38PbTiO3( 0.62PMN-0.38PT)单晶的折射率，给出了该温度下折射率色散的Sellmeier方程.研究了能带 结构与折射率的关系，计算了样品的Sellmeier光学系数：对no，E0=5.50eV,λ0=0.2 26μm，Ｓ０=1.004×10¹⁴m^-2，Ed=28.1 0eV；对ne，Ｅ0=5.57eV,λ 0=0.223μm，S0=1.017×10¹⁴m^-2，Ed=28.10eV.A BO3型钙钛矿材料中，BO6八面体基元决定了晶体的能带结构，对折 射率产生重要影响. 关键词： PMNT单晶 折射率 Sellmeier光学系数}     

Cr<Superscript>3+</Superscript> spectroscopy study in ZnO-codoped and Zn-in-diffused congruent LiNbO<Subscript>3</Subscript>:Cr crystals

This paper reports on the spectroscopy properties, absorption and luminescence, of Cr³⁺ ions in singly doped, ZnO-codoped, and Zn in-diffused LiNbO₃:Cr crystals. In addition to the broad absorption, inter-ionic transitions ascribed to Cr³⁺ ions located in Li⁺ and Nb⁵⁺ sites; [Cr]_Li and [Cr]_Nb centres two absorption bands at higher energy are reported and ascribed to the charge transfer transitions of the Cr³⁺ ions of the two defect centres. The charge transfer transitions are used as optical probe to study the role of the Zn ions in the Zn in-diffused LiNbO₃:Cr samples. It has been observed that the Zn-in-diffused processes created [Cr]_Nb centres in the diffusion zone. The location of the diffused Zn²⁺ ions is considered to be in Li⁺ site, displacing the Cr³⁺ ions from the Li⁺ sites, [Cr]_Li, to the Nb⁵⁺ positions, [Cr]_Nb.     

Characteristics of paraxial propagation of a super Lorentz-Gauss SLG₀₁ mode in uniaxial crystal orthogonal to the optical axis

Analytical propagation expression of a super Lorentz-Gauss(SLG) 01 mode in uniaxial crystal orthogonal to the optical axis is derived.The SLG 01 mode propagating in uniaxial crystal orthogonal to the optical axis mainly depends on the ratio of the extraordinary refractive index to the ordinary refractive index.The SLG 01 mode propagating in uniaxial crystals becomes an astigmatic beam.The beam spot of the SLG 01 mode in the uniaxial crystal is elongated in the x-or y-direction,which is determined by the ratio of the extraordinary refractive index to the ordinary refractive index.With the increase of the deviation of the ratio of the extraordinary refractive index to the ordinary refractive index from unity,the elongation of the beam spot also augments.In different observation planes,the phase distribution of an SLG 01 mode in the uniaxial crystal takes on different shapes.With the variation of the ratio of the extraordinary refractive index to the ordinary refractive index,the phase distribution is elongated in one transversal direction and is contracted in the other perpendicular direction.This research is beneficial to the practical applications of an SLG mode.     

Reflectance-based two-dimensional TiO₂ photonic crystal liquid sensors

We propose and experimentally demonstrate a reflectance-based photonic crystal (PC) liquid sensor. The PC is made of two-dimensional TiO₂ nanopillar arrays. Such a reflectance-based structure with large functional area not only simplifies the optical guiding but also enhances the sensor signal. A linear shift of reflectance peaks is found for liquids with refractive indices varying from 1.333 to 1.390 at wavelength near 1.5?μm. Excellent agreement between measured values and the generated reflectance model at a fixed wavelength is obtained, indicating the high potential of these PC-based liquid sensors for biological and environmental applications.     

Growth,characterization and upconversion properties of erbium-doped potassium lithium tantalate niobate single crystals under 975 nm laser excitation

Potassium lithium tantalate niobate single crystals doped with erbium ions are grown by top-seeded solution growth method. The crystals are characterized by X-ray diffraction and differential thermal analysis. The refractive indices of the crystal are measured using ellipsometry method and fitted by Sellmeier equation. The as-grown crystals are tetragonal phase tungsten bronze-type structure with Curie temperature of 271.3 °C. Characteristic Er^3 + absorption bands are observed from 350 to 1100 nm in ultraviolet–visible-near infrared absorption spectra. These crystals emit brightly green and red upconversion fluorescence under 975 nm LD laser excitation, and the steady state upconversion spectra are obtained at room temperature. The red emission intensity increases as the erbium ions concentration increases in crystals. Processes of excited state absorption and energy transfer are responsible for upconversion luminescence. The emission intensities are quadratic dependences on pump power from pump power dependence analyses and deduction of transition rate equation model.     

Properties of a Si₂N molecule under an external electric field

In the present work,we adopt the ccsd/6-31g(d) method to optimize the ground state structure and calculate the vibrational frequency of the Si2N molecule.The calculated frequencies accord satisfactorily with the experimental values,which helps confirm the ground state structure of the molecule.In order to find how the external electric field affects the Si2N molecule,we use the density functional method B3P86/6-31g(d) to optimize the ground state structure and the time-dependent density functional theory TDDFT/6-31g(d) to study the absorption spectra,the excitation energies,the oscillator strengths,and the dipole moments of the Si2N molecule under different external electric fields.It is found that the absorption spectra,the excitation energies,the oscillator strengths,and the dipole moments of the Si2N molecule are affected by the external electric field.One of the valuable results is that the absorption spectra of the yellow and the blue-violet light of the Si2N molecule each have a red shift under the electric field.The luminescence mechanism in the visible light region of the Si2N molecule is also investigated and compared with the experimental data.     

Measurement of the extraordinary refractive index dispersion in the MIR for Mg:Nd:LiNbO3 crystals by the use of quasi-phase-matching in a random 1D domain structure

We present a method of measurement of the extraordinary refractive index dispersion in MIR for periodically and aperiodically poled nonlinear crystals with unknown or uncertain periods. The method is based on the spontaneous parametric down-conversion and is useful for the crystals with domain structure formed directly in the process of growth by Czochralski technique. As an example we measure the extraordinary refractive index of in-growth poled 2 mol% Mg and 1 mol% Nd doped congruent lithium niobate and present the corresponding Sellmeier equation in the range of 0.4–3.6 μm.     

Interface-related switching behaviors of amorphous Pr_0.67Sr_0.33MnO₃-based memory cells

The resistive switching properties in amorphous Pr0.67Sr0.33MnO3 films deposited by pulsed laser deposition are investigated.Reproducible and bipolar counter-8-shape and 8-shape switching behaviours of Au/Pr0.67Sr0.33MnO3 /F:SnO2 junctions are obtained at room temperature.Dramatically,the coexistence of two switching polarities could be reversibly adjusted by an applied voltage range.The results allocated those two switching types to areas of different defect densities beneath the same electrode.The migration of oxygen vacancies and the trapping effect of electrons under an applied electric field play an important role.An interface-effect-related resistance switching is proposed in an amorphous Pr0.67Sr0.33MnO3-based memory cell.     

Stereodynamics of the reactions Ne+H₂⁺/Ne+D₂⁺/Ne+T₂

The vector correlations between products and reagents for the reactions Ne+H + 2 , Ne+D + 2 , and Ne+T + 2 are calculated by means of the quasi-classical trajectory method on a new potential energy surface constructed by Lü et al. [J. Chem. Phys. 2010 132, 014303]. The polarization-dependent differential cross-sections (2π/σ)(dσ 00 /dω t ), (2π/σ)(dσ 20 /dω t ), (2π/σ)(dσ 22+ /dω t ), and (2π/σ)(dσ 21 /dω t ), and the distributions of P (θ r ), P (φ r ), and P (θ r ,φ r ) are calculated. The isotopic effect, which is associated with the difference in mass factor among the three reactions, is revealed.