Absorption coefficients of an undoped YVO4 crystal

In this paper, the absorption coefficients α_o (for ordinary ray) and α_e (for extraordinary ray) of an undoped YVO₄ crystal were calculated by measuring the transmissivities and refractive indices. The mean values 0.00549 cm⁻¹ of α_o measured by unpolarized light, and 0.00432 cm⁻¹ of α_o and 0.00420 cm⁻¹ of α_e measured by linear polarized light were reported, respectively. The corresponding absorption curves were given. The discussions about the errors were made. This work is available to evaluate quantificationally the quality of undoped YVO₄ crystal and provides the significant data of absorption coefficient for its applications.     

Investigation of the optoelectronic properties of columbite ZnNb2O6 crystal

A high-quality ZnNb₂O₆ single-crystal grown by optical floating zone method has been used as a research prototype to analyze the optoelectronic parameters by measuring the absorption coefficient and transmittance spectra along the b-axis from 200 nm to 1000 nm at room temperature. The optical interband transitions of ZnNb₂O₆ have been determined as a direct transition with a band gap of 3.84 eV. The refractive index, extinction coefficient, and real and imaginary parts of the complex dielectric constants as functions of the wavelength for ZnNb₂O₆ crystal are obtained from the measured absorption coefficients and transmittance spectra. In the Urbach tail of 3.16–3.60 eV, the validity of the Cauchy–Sellmeier equation has also been evaluated. Using the single effective oscillator model, the oscillator energy E_o is found to be 4.77 eV. The dispersion energy E_d is 26.88 eV and ZnNb₂O₆ crystal takes an ionic value.     

Compositional dependence of the optical properties of amorphous semiconducting glass Ge10AsxSe(90−x) thin films

Optical properties of ternary chalcognide amorphous Ge₁₀As_xSe_(90−x) (with 10?x?25 at%) thin films prepared by thermal evaporation have been measured in visible and near-infrared spectral region. The straightforward analysis proposed by Swanepoel has been successfully employed, and it has allowed us to determine the average thickness , and the refractive index, n, of the films, with high accuracy. The refractive index, n and the average thickness has been determined from the upper and lower envelopes of the transmission spectra measured at normal incidence, in the spectral range 400-2500 nm. The absorption coefficient α, and therefore extinction coefficient k, have been determined from the transmission spectra in the strong-absorption region. The dispersion of the refractive index is discussed in terms of the single oscillator Wemple-DiDomenico model, and the optical absorption edge is described using the ‘nondirect transition’ model proposed by Tauc. Likewise, the optical energy gap is derived from Tauc's extrapolation. The relationship between the optical gap and chemical composition in Ge₁₀As_xSe_(90−x) amorphous system is discussed in terms of the average heat of atomization H_s and average coordination number N_c. Finally, the chemical bond approach has been also applied successfully to interpret the decrease of the glass optical gap with increasing As content.     

Interference of resonance luminescence of exciton polaritons in CuGaS2 crystals

The nonmodulated and wavelength-modulated reflection spectra of CuGaS₂ crystals for the polarization EIIc of 10 K are studied. The states n = 1, 2 and 3 of the excitons Γ₄ (A-excitons) and n = 1, n = 2 of B- and C-excitons are found. The nonmodulated absorption spectra for the polarization E⊥c at 10 K have been studied. The states n = 1, 2 and 3 of Γ₅ excitons are found. The main parameters of the A (Γ₄, Γ₅) and B, C exciton series at the energies of the longitudinal and transverse excitons Γ₄ for the states n = 1 and n = 2, the effective masses of electrons and holes are determined. The photoluminescence peaks were observed at n = 3 and n = 4 of the excitons Γ₅ in the luminescence spectra excited by the line 4880 Å of Ar⁺ laser. In the luminescence spectra the interference is found.     

Effect of gamma doses on the optical parameters of Se76Te15Sb9 thin films

The effect of γ-radiation dose on the optical spectra and optical energy gap (E_opt.) of Se₇₆Te₁₅Sb₉ thin films was studied. The dependence of the absorption coefficient (α) on the photon energy (hν) was determined as a function of radiation dose. The films show indirect allowed interband transition that is influenced by the radiation dose. Both the optical energy gap and the absorption coefficient were found to be dose dependent. The indirect optical energy gap was found to decrease from 1.257 to 0.664 eV with increasing the radiation dose from 10 to 250 krad, respectively. The results can be discussed on the basis of γ-irradiation-induced defects in the film. The width of the tail of localized states in the band gap (E_e) was evaluated using the Urbach edge method. The refractive index (n) was determined from the analysis of the transmittance and reflectance data. Analysis of the refractive index yields the values of high frequency dielectric constant (ε_∞) and the carrier concentration (N/m^*). The dependence of refractive index on the radiation dose has also been discussed. Other optical parameters such as real and imaginary parts of the dielectric constant (ε₁, ε₂) and the extinction coefficient (k) have been evaluated. It was found that the spectral absorption coefficient is expected to a suitable control parameter of γ-irradiation-sensitive elements of dosimetric systems for high energy ionizing radiation (0.06-1.33 MeV).     

Refractive index, oscillator parameters and temperature-tuned energy band gap of Tl4In3GaS8-layered single crystals

Transmission and reflection measurements in the wavelength region 450-1100 nm were carried out on Tl₄In₃GaS₈-layered single crystals. The analysis of the room temperature absorption data revealed the presence of both optical indirect and direct transitions with band gap energies of 2.32 and 2.52 eV, respectively. The rate of change of the indirect band gap with temperature dE_gi/dT=-6.0×10⁻⁴ eV/K was determined from transmission measurements in the temperature range of 10-300 K. The absolute zero value of the band gap energy was obtained as E_gi(0)=2.44 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 4.87 eV, 26.77 eV, 8.48×10¹³ m⁻² and 2.55, respectively.     

Rotational spectra of gauche perfluoro-n-butane, C4F10; perfluoro-iso-butane, (CF3)3CF; and tris(trifluoromethyl)methane, (CF3)3CH

The microwave spectra of the gauche conformer of perfluoro-n-butane, n-C₄F₁₀, of perfluoro-iso-butane, (CF₃)₃CF, and of tris(trifluoromethyl)methane, (CF₃)₃CH, have been observed and assigned. The rotational and centrifugal distortion constants for gauche n-C₄F₁₀ are: A = 1058.11750(7) MHz, B = 617.6832(1) MHz, C = 552.18794(1) MHz, Δ_J = 0.0257(5) kHz, δ_J = 0.0052(3) kHz. A C-C-C-C dihedral angle, ω, of ∼55° has been determined. These values agree well with those obtained from a coupled cluster (CCSD/cc-PVTZ) calculation. The rotational and centrifugal distortion constants for iso-C₄F₁₀ and iso-C₄HF₉ are: B_o = 816.4519(4) MHz, D_J = 0.023(2) kHz, and B_o = 903.6985(25) MHz, D_J = 0.043(4) kHz, respectively. The dipole moment of iso-C₄F₁₀ and iso-C₄HF₉ have been measured and found to be 0.0338(8) and 1.69(9) D, respectively.     

Temperature induced band gap shrinkage in Cu2GeSe3: Role of electron-phonon interaction

The ternary semiconducting compound Cu₂GeSe₃ has been investigated for optical properties with photoacoustic spectroscopy. Optical absorption spectra of Cu₂GeSe₃ is obtained in the range of 0.76-0.81 eV photon-energy at temperatures between 80 and 300 K. The thermal variation of band gap energy has been examined from the optical absorption spectra at different temperatures. The temperature induced band gap shrinkage has been explained on the basis of electron-phonon interaction. Varshni's empirical relation in conjunction with Vina and Passler model is taken into consideration for data fitting. The Debye temperature was calculated approximately as 240 K. The acoustic phonons with a characteristic temperature as 160 K corresponding to effective mean frequency have been attributed to the thermal variation of the energy gap.     

Low-temperature absorption edge and photoluminescence in layered structured Tl2Ga2S3Se single crystals

The absorption edge of undoped Tl₂Ga₂S₃Se crystals have been studied through transmission and reflection measurements in the wavelength range 440–1100 nm and in the temperature range 10–300 K. The absorption edge was observed to shift toward lower energy values with increasing temperature. As a result, the rate of the indirect band gap variation with temperature γ=−2.6×10⁻⁴ eV/K and the absolute zero value of the band gap energy E_gi(0)=2.42 eV were obtained.     

Thermal annealing effect of on optical constants of vacuum evaporated Se75S25−xCdx chalcogenide thin films

Chalcogenide glasses are interesting materials due to their infrared transmitting properties and photo induced effects exhibited by them. Thin films with thickness of 3000 Å of the glasses Se₇₅S_25−xCd_x with x=6, 8 and 10 at% prepared by melt quench technique were evaporated by thermal evaporation onto glass substrates under a vacuum of 10⁻⁶ Torr. The optical constants (absorption coefficient, refractive index and extinction coefficient) of as-prepared and annealed films have been studied as a function of photon energy in the wave length region 400-1000 nm. Analysis of the optical absorption data shows that the rule of non-direct transitions predominates. It has been found that the absorption coefficient and optical band gap increase with increasing annealing temperatures. The refractive index (n) and the extinction coefficient (k) were observed to decrease with increasing annealing temperature.     

Model, software and database for line-mixing effects in the ν3 and ν4 bands of CH4 and tests using laboratory and planetary measurements—I: N2 (and air) broadenings and the earth atmosphere

Absorption spectra of the infrared ν₃ and ν₄ bands of CH₄ perturbed by N₂ over large ranges of pressure and temperature have been measured in the laboratory. A theoretical approach accounting for line mixing is proposed to (successfully) model these experiments. It is similar to that of Pieroni et al. [J Chem Phys 1999;110:7717-32] and is based on state-to-state rotational cross-sections calculated with a semi-classical approach and a few empirical parameters. The latter, which enable switching from the state space to the line space, are deduced from a fit of a single room temperature spectrum of the ν₃ band at 50 atm. The comparisons between numerous measured and calculated spectra under a vast variety of conditions (ν₃ and ν₄, 0-500 atm, 170-300 K) then demonstrate the quality and consistency of the proposed model. This success is a first validation of a database and associated software built in order to model the shape of CH₄ absorption in air, that are available and suitable for the updating of atmospheric radiative transfer codes. The accuracy of these tools is then further demonstrated using transmission measurements of the Earth atmosphere in the ν₃ region (3 μm) recorded in solar absorption with ground and balloon based Fourier transform instruments. Similar tests in the ν₄ region using satellite based emission spectra and ground-based transmission measurements confirm the model quality although they show very small line-mixing effects and their masking by strong contributions of other species.     

Some properties of the phonon spectra of transition metal disilicides VSi2, NbSi2, and TaSi2

The phonon spectra of metallic disilicides VSi₂, NbSi₂, and TaSi₂ have been studied in detail by inelastic neutron scattering at 300 K and specific heat measurements between 10 K and 250 K. The specific heat calculated from the generalised phonon density of states extracted from neutron measurements is in good agreement with the measured lattice contribution to the specific heat. The properties of the phonon spectra are discussed in relation with other data reported for these isostructural and isoelectronic disilicides.     

Structure and optical analysis of Ta2O5 deposited on infrasil substrate

Electron beam gun technique was used to prepare Ta₂O₅ thin films onto infrasil substrates of thicknesses 333 and 666 nm. The structure characterization was investigated using X-ray diffraction patterns. Transmittance measurements in the wavelength range (240-2000 nm) were used to calculate the refractive index n and the absorption index k depending on Swanepole's method. The dispersion curve of the refractive index shows an anomalous dispersion in the absorption region and a normal one in the transparent region. The analysis of the optical absorption data revealed that the optical band gap E_g was indirect transition. It was found that the refractive index dispersion data obeyed the single oscillator of the Wemple-DiDomenico model, from which the dispersion parameters (E_o and E_d) and the high frequency dielectric constant were determined. The electric free carrier susceptibility and the carrier concentration to the effective mass ratio were estimated according to the model of Spitzer and Fan. Graphical representation of the relaxation time as a function of photon energy was also presented.     

Rotational spectra of isotopic species of SO2F2: experimental and ab initio structures

The rotational spectra of ³⁴SO₂F₂ and S¹⁸O¹⁶OF₂ have been measured in their ground vibrational state between 9 and 110 GHz. Accurate rotational constants have been derived. Various experimental structures including the average structure have been determined. The ab initio structure has been calculated at the CCSD(T) level of theory. The different structures are compared and the best equilibrium structure is the ab initio structure: r_e(SO)=1.401 (3) Å, r_e(SF)=1.532 (3) Å, ∠_e(OSO)=124.91(20)°, ∠_e(FSF)=95.53 (20)°.     

Optical properties of ITO/TiO2 single and double layer thin films deposited by RPLAD

Indium tin oxide (ITO) and titanium dioxide (TiO₂) single layer and double layer ITO/TiO₂ films were prepared using reactive pulsed laser ablation deposition (RPLAD) with an ArF excimer laser for applications in dye-sensitized solar cells (DSSCs). The films were deposited on SiO₂ substrates either at room temperatures (RT) or heated to 200-400 °C. Under optimized conditions, transmission of ITO films in the visible (vis) range was above 89% for films produced at RT and 93% for the ones deposited at higher temperatures. Increasing the substrate temperature from RT to 400 °C enhances the transmission of TiO₂ films in the vis-NIR from about 70% to 92%. High transmission (≈90%) was observed for the double layer ITO/TiO₂ with a transmission cut-off above 900 nm. From the transmission data, the energies gaps (E_g), as well as the refractive indexes (n) for the films were estimated. n ≈ 2.03 and 2.04, respectively for ITO films and TiO₂ film deposited at 400 °C in the visible region. Post-annealing of the TiO₂ films for 3 h at 300 and 500 °C was performed to enhance n. The refractive index of the TiO₂ films increases with the post-annealing temperature. The direct band gap is 3.6, 3.74 and 3.82 eV for ITO films deposited at RT, 200, and 400 °C, respectively. The TiO₂ films present a direct band gap of 3.51 and 3.37 eV for as deposited TiO₂ films and when annealed at 400 °C, respectively. There is a shift of about 0.1 eV between ITO and ITO/TiO₂ films deposited at 200 °C. The shift decreases by half when the TiO₂ film was deposited at 400 °C. Post-annealing was also performed on double layer ITO/TiO₂.     

Diode laser measurements of temperature-dependent collisional-narrowing and broadening parameters of Ar-perturbed H2O transitions at 1391.7 and 1397.8 nm

High-resolution absorption lineshapes of two H₂O transitions near 7185.60 and 7154.35 cm⁻¹ have been recorded in a heated static cell as a function of temperature (296-1100 K) and pressure (6-830 Torr) using two distributed-feedback diode lasers. The measured absorption spectra are least squares fit to both Voigt and Galatry profiles. Strong collisional-narrowing effects are observed in the Ar-broadened H₂O spectra at near-atmospheric pressure due to the relatively weak collisional broadening induced by Ar-H₂O collisions, while collisional narrowing is not significant for pure H₂O absorption lineshapes. Line strengths and self-broadening coefficients are inferred from the pure H₂O absorption spectra and compared with published data. Temperature dependences of the Ar-induced broadening, narrowing, and shift coefficients are determined using Galatry fits to the absorption data. The measured collisional-narrowing parameters have similar temperature dependence to the collisional-broadening coefficients.     

Femtosecond Z-scan measurement of third-order optical nonlinearities in anatase TiO2 thin films

Anatase phase TiO₂ films have been grown on fused silica substrate by pulsed laser deposition technique at substrate temperature of 750 °C under the oxygen pressure of 5 Pa. From the transmission spectra, the optical band gap and linear refractive index of the TiO₂ films were determined. The third-order optical nonlinearities of the films were measured by Z-scan method using a femtosecond laser (50 fs) at the wavelength of 800 nm. The real and imaginary parts of third-order nonlinear susceptibility χ⁽³⁾ were determined to be −7.1 × 10⁻¹¹esu and −4.42 × 10⁻¹²esu, respectively. The figure of merit, T, defined by T=βλ/n₂, was calculated to be 0.8, which meets the requirement of all-optical switching devices. The results show that the anatase TiO₂ films have great potential applications for nonlinear optical devices.     

First-principles calculations of structural, electronic, optical and elastic properties of magnesite MgCO3 and calcite CaCO3

Detailed ab initio calculations of the structural, electronic, optical and elastic properties of two crystals - magnesite (MgCO₃) and calcite (CaCO₃) - are reported in the present paper. Both compounds are important natural minerals, playing an important role in the carbon dioxide cycling. The optimized crystal structures, band gaps, density of states diagrams, elastic constants, optical absorption spectra and refractive indexes dependence on the wavelength all have been calculated and compared, when available, with literature data. Both crystals are indirect band compounds, with calculated band gaps of 5.08 eV for MgCO₃ and 5.023 eV for CaCO₃. Both values are underestimated by approximately 1.0 eV with respect to the experimental data. Although both crystals have the same structure, substitution of Mg by Ca ions leads to certain differences, which manifest themselves in noticeable change in the electronic bands profiles and widths, shape of the calculated absorption spectra, and values of the elastic constants. Response of both crystals to the applied hydrostatic pressure was analyzed in the pressure range of phase stability, variations of the lattice parameters and characteristic interionic distances were considered. The obtained dependencies of lattice constants and calculated band gap on pressure can be used for prediction of properties of these two hosts at elevated pressures that occur in the Earth's mantle.