Optical band gap and optical constants in a-Se100–xSbx thin films

Abstract

The optical properties of a-Se_100-xSb_x thin films (where x = 0, 0.5, 2.5, 5 and 10) have been studied in the wavelength range 540–900 nm. It was found that the optical band gap increases with increasing Sb concentration in the a-Se_100-x Sb _x system. The refractive index n decreases, while the extinction coefficient k increases with increasing photon energy. DC conductivity measurements of a-Se_100-x Sb _x thin films have been reported in the temperature range 349–375 K. It has been observed that the conductivity increases while the activation energy decreases with increasing Sb concentration. We correlated the optical band gap with the electronegativity of the sample. The band gap increases with the decrease in electronegativity of each sample of a-Se_100-x Sb _x .     

Determination of the optical constants of HfO2–SiO2 composite thin films through reverse fitting of transmission spectra

Composite thin films of HfO₂:SiO₂ with wide range of relative composition from 100:0 (pure HfO₂) to 10:90 have been deposited on fused silica substrates by co-evaporation technique and the optical properties of the films have been studied by measuring the transmission spectra of the samples by spectrophotometer. Different important optical parameters viz., band gap, refractive index and absorption coefficients of the samples have been obtained by fitting the measured optical spectra with theoretically generated spectra and the variation of the optical constants as a function of SiO₂ content in the films have been obtained. Two different dispersion models viz., the single effective oscillator model and the Tauc–Lorentz model have been used to generate the theoretical spectra in the above fitting procedure. X-ray reflectivity (XRR) measurement technique has been used to find the densities of the films in order to explain the observed variation in optical properties of the films with increase in SiO₂ content.     

Temperature dependent optical properties of UV emitting γ-CuCl thin films

In this work, ultra violet emitting properties of RF sputtered CuCl thin films were studied as a function of temperature in the region of 15-300 K. Deposition parameters were optimised to obtain good optical quality films exhibiting an intense and sharp Z₃ free exciton emission (at 383 nm) with an FWHM of ∼ 74 meV at room temperature. At lower temperatures, there are two other emissions observed at 375 and 390 nm, and they are identified as Z₁₂ and I₁ exciton lines, respectively. The free exciton emission is extremely stable at room temperature and it was found to be less influenced by the exciton-phonon interaction compared to the bound exciton emission which dissociates after 40 K. The Z₃ free exciton line exhibits a slight blue-shift on increasing the temperature. The temperature dependence of exciton line shift, line broadening and emission intensity are discussed in detail.     

Growth and optical properties of Sn–Si nanocomposite thin films

The growth and optical properties of nanocomposite thin films comprising of nanocrystalline Sn and Si are reported. The nanocomposite films are produced by thermal annealing of bilayers of Sn and Si deposited on borosilicate glass substrates at various temperatures from 300 to 500 °C for 1 h in air. X-ray diffraction reveals that the as-deposited bilayers consist of nanocrystalline Sn films with a crystallite size of 30 nm, while the Si thin films are amorphous. There is onset of crystallinity in Si on annealing to 300 °C with the appearance of the (111) peak of the diamond cubic structure. The crystallite size of Si increases from 5 to 18 nm, whereas the Sn crystallite size decreases with increase in annealing temperature. Significantly, there is no evidence for any Sn–Si compound, and therefore it is concluded that the films are nanocomposites of Sn and Si. Measured spectral transmittance curves show that the films have high optical absorption in the as-deposited form which decreases on annealing to 300 °C. The films show almost 80 % transmission in the visible-near infrared region when the annealing temperature is increased to 500 °C. There is concomitant decrease in refractive index from 4.0, at 1750 nm, for the as-deposited film, to 1.88 for the film annealed at 500 °C. The optical band gap of the films increases on annealing (from 1.8 to ~2.9 eV at 500 °C). The Sn-Si nanocomposites have high refractive index, large band gap, and low optical absorption, and can therefore be used in many optical applications.     

On the optical constants of amorphous GexSe1−x thin films of non-uniform thickness prepared by plasma-enhanced chemical vapour deposition

The preparation of layers of amorphous Ge_xSe_1−x (with Ge atomic concentrations x=0, 0.17, 0.25 and 0.34) by plasma-enhanced chemical vapour deposition (PECVD) using the hydrides, GeH₄ and H₂Se, as precursor gases is described in detail. Information concerning the structure of the films was obtained from Raman spectroscopy. The optical transmission was measured over the 300 to 2500 nm spectral region in order to derive the refractive index and extinction coefficient of these PECVD films. The expressions proposed by Swanepoel, enabling the calculation of the optical constants of a thin film with non-uniform thickness, have successfully been applied. The refractive-index dispersion data were analysed using the Wemple–DiDomenico single-oscillator fit. The optical-absorption edges have been all of them described using the `non-direct transition' model proposed by Tauc. The optical gaps were calculated using Tauc's extrapolation, resulting in values ranging from 1.93 eV for a-Se to 2.26 eV for a-GeSe₂.     

Synthesis of β-Mo(2)C thin films

Thin films of stoichiometric β-Mo(2)C were fabricated using a two-step synthesis process. Dense molybdenum oxide films were first deposited by plasma-enhanced chemical vapor deposition using mixtures of MoF(6), H(2), and O(2). The dependence of operating parameters with respect to deposition rate and quality is reviewed. Oxide films 100-500 nm in thickness were then converted into molybdenum carbide using temperature-programmed reaction using mixtures of H(2) and CH(4). X-ray diffraction confirmed that molybdenum oxide is completely transformed into the β-Mo(2)C phase when heated to 700 °C in mixtures of 20% CH(4) in H(2). The films remained well-adhered to the underlying silicon substrate after carburization. X-ray photoelectron spectroscopy detected no impurities in the films, and Mo was found to exist in a single oxidation state. Microscopy revealed that the as-deposited oxide films were featureless, whereas the carbide films display a complex nanostructure.     

Structural and optical properties of γ-alumina thin films prepared by pulsed laser deposition

Preparation of γ-alumina thin films by pulsed laser deposition from a sintered α-alumina target is investigated. The films were deposited on (100) silicon substrates at 973 K with varying oxygen partial pressures in the range 2.0 × 10⁻⁵-3.5 × 10^− 1 mbar. X-ray diffraction results indicated that the films were polycrystalline γ-Al₂O₃ with cubic structure. The films prepared in the oxygen partial pressure range 2.0 × 10^− 5-3.5 × 10^− 2 mbar contained nanocrystals of sizes in the range 10-16 nm, and became amorphous at pressures > 3.5 × 10^− 1 mbar. Topography of the films was examined by atomic force microscopy using contact mode and it showed the formation of nanostructures. The root-mean square surface roughness of the film prepared at 2.0 × 10^− 5 mbar and 3.5 × 10^− 1 mbar were 1.4 nm and 3.5 nm, respectively. The thickness and optical properties were studied using ellipsometry in the energy range 1.5-5.5 eV for three different angles of incidence. The refractive index was found to decrease from 1.81 to 1.73 with the increase of oxygen partial pressures from 2.0 × 10^− 5 to 3.5 × 10^− 2 mbar. The variation in the refractive index has been found to be influenced by the microstructure of the films obtained as a function of oxygen partial pressure.     

Structural,optical and electrical properties of Bi2−xMnxTe3 thin films

Journal of Materials Science: Materials in Electronics - Undoped and Mn doped Bi2Te3 (x = 0, 0.05 and 0.10 at%) thin films were prepared via thermal evaporation method from their bulk alloys. X-ray...     

Synthesis,structure, and optical properties of Au–TiO2 composite thin films

Titanium dioxide (TiO₂) films with varying concentrations of gold particles were synthesized using pulsed DC magnetron sputtering, with the intent to develop infrared reflecting films for use on cars and planes to reduce solar heat load. Under our deposition conditions, the films are smooth (RMS roughness on the order of 1.0–2.0 nm) and consist of rutile TiO₂ with embedded gold. The average gold particle diameter on the sample surface was found to change from 60 to 200 nm as the volume fraction of gold in the films increased from 1.9 to 4.3% (3.5 to 7.9 mol% Au). The maximum reflectance of these films in the infrared region (800–2500 nm) is > 50%, compared with 30% for pure TiO₂. The Maxwell–Garnett equation does not model the reflectance data very well, due to the relatively large gold particle size. Instead, by assuming that the contribution of gold particles to the reflectance response is proportional to their projected areal fraction in an effective medium approximation, we were able to fit the observed reflectance data quite well.     

Temperature-dependence on the optical properties and the phase separation of polymer–fullerene thin films

A detailed study on the thermal transition of poly(3-hexylthiophene) (P3HT) and blends was investigated by differential scanning calorimetry, while the morphological, phase separation and the transformation in the optical properties were probed by thermal-atomic force microscopy (AFM), polarized optical microscopy (POM) and spectroscopic ellipsometry (SE). The inclusion of fullerenes on the polymer structure confirms the formation and evolution of a new endothermic transition at high temperatures. SE revealed that the refractive index and extinction coefficient of the films increased with annealing temperature up to 140 °C due to the suppressed diffusion of PCBM molecules into the blend. Annealing above 140 °C resulted in a decrease in the optical constants due to the formation of large “needle-like” crystals. This is due to the depletion of PCBM clusters near the “needle-like” structures; resulting from the diffusion of the PCBM molecules into the growing PCBM crystals or “needle-like” crystals as is evidenced by in situ thermal-AFM and POM. These findings indicate that annealing temperature of 140 °C is suitable for a P3HT:PCBM film to obtain the desired phase separation for solar cell application.     

Effect of B content on thermal stability of nanocomposite Ti–B–N thin films

Abstract

Ti–B–N thin films with different B contents were deposited on Si (100) at room temperature, followed by vacuum annealed at 400, 600, 800 and 1000°C for 1 h respectively. Effect of boron content on thermal stability was investigated using X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscopy and nanoindentation measurements. The results indicated that incorporation of B into TiN produced a nanocomposite structure, which had a positive effect on microstructure stability. A high B content resulted in an elevated recrystallisation temperature. The hardness stability was not consistent with that of microstructure, and depended on phase configuration and composition. The films with a high as deposited hardness showed high hardness stability. Excessive or lack of amorphous phase decreased hardness stability. The residual stress value was decreased with increasing annealing temperature owing to recovery of amorphous matrix, and crystallisation of amorphous phase made its direction transform from compression to tension.     

Electrical properties of γ-CuCl thin films

The electrical properties of thin film CuCl, a wide band gap material with potential applications in the optoelectronic industry, has been studied using admittance spectroscopy in the frequency range 10 mHz–1 MHz and temperature range 280–400 K. The electrical conductivity of CuCl films was found to be mainly ionic and the temperature dependency follows the Arrhenius relationship. The power-law exponent of the AC dispersive regimes was found to be almost temperature independent. Further to this, DC electronic hole conductivity of the order of 2.3 × 10⁻⁷ S/cm was deduced to be in coexistence with Cu⁺ ionic conductivity using irreversible electrodes (Au), while a total conductivity of the order of 6.5 × 10⁻⁷ S/cm was obtained using reversible electrodes (Cu) at room temperature.     

Structural and optical properties of In doped Se–Te phase-change thin films: A material for optical data storage

Se_75−xTe₂₅In_x (x = 0, 3, 6, & 9) bulk glasses were obtained by melt quench technique. Thin films of thickness 400 nm were prepared by thermal evaporation technique at a base pressure of 10⁻⁶ Torr onto well cleaned glass substrate. a-Se_75−xTe₂₅In_x thin films were annealed at different temperatures for 2 h. As prepared and annealed films were characterized by X-ray diffraction and UV–Vis spectroscopy. The X-ray diffraction results show that the as-prepared films are of amorphous nature while it shows some poly-crystalline structure in amorphous phases after annealing. The optical absorption spectra of these films were measured in the wavelength range 400–1100 nm in order to derive the extinction and absorption coefficient of these films. It was found that the mechanism of optical absorption follows the rule of allowed non-direct transition. The optical band gap of as prepared and annealed films as a function of photon energy has been studied. The optical band gap is found to decrease with increase in annealing temperature in the present glassy system. It happens due to crystallization of amorphous films. The decrease in optical band gap due to annealing is an interesting behavior for a material to be used in optical storage. The optical band gap has been observed to decrease with the increase of In content in Se–Te glassy system.     

Structural and optical properties of Cu–N codoped ZnO thin films deposited by magnetron cosputtering

ZnO films codoped by copper and nitrogen were prepared by magnetron cosputtering. The effects of this codoping on the structural and optical properties of ZnO films were systematically studied. The results show that Cu–N codoping didn’t affect the optimal orientation. Cu–N codoping can enlarge the grain size, enhance the crystallinity, reduce the stress and lead to denser and smoother surface. A significant red shift of absorption edge and gap-narrowing effect resulting from codoping were found in ZnO films. Cu-doping, N-doping, and oxygen vacancy are the main factors leading to property modification of the ZnO films. By Cu–N codoping, we can modulate the microstructure and optical properties of ZnO films in a wider range.     

Structural and optical properties of Cd x Zn(1 − x)Te thin films

Seven Cd _x Zn_{(1 ? x} Te solid solutions with x = 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9 and 1.0 were synthesized by fusing stoichiometric amounts of CdTe and ZnTe constituents in silica tubes. Each composition was used in the preparation of a group of thin films of different thicknesses. Structural investigation of the obtained films indicates they have a polycrystalline structure with predominant diffraction lines corresponding to (111) (220) and (311) reflecting planes, which can be attributed to the characteristics of growth with the (111) plane. The optical constants (the refractive index n, the absorption index k, and the absorption coefficient α) of Cd _x Zn_{(1 \s -x)} Te thin films were determined in the spectral range 500–2000 nm. At certain wavelengths it was found that the refractive index, n, increases with increasing molar fraction, x. It was also found that plots of α² (hv) and α^1/2 (hv) yield straight lines, corresponding to direct and indirect allowed transitions respectively obeying the following two equations: $$\begin{gathered} E_g^d = 1.583 + 0.277x + 0.197x^2 \hfill \\ E_g^{ind} = 1.281 + 0.111x + 0.302x^2 \hfill \\ \end{gathered}$$      

Investigations on the optical properties of sol–gel derived lanthanum doped lead titanate thin films

In the present work we studied the optical properties of undoped and La doped lead titanate thin films, and also demonstrated that the optical characterization of thin films can be used as an effective diagnostic tool to assess film quality. The optical properties of Pb_1−xLa_xTi_1−x/4O₃ [where x=0 (undoped), 10, 15, 20, 25 and 30 at.%] thin films were investigated using both transmission and reflection spectra in the 200–900-nm wavelength range. The refractive index (n), extinction coefficient (k) and the thickness of the film (d_f) were determined from the measured transmission spectra. The thickness of the film obtained from the interference fringes in transmission or reflection spectra matched well with those obtained from other methods. The appearance of interference fringes is an indication of the thickness uniformity of the film. The low value of extinction coefficient (in the order of 10⁻²) as observed in our films is a qualitative indication of excellent surface smoothness of the films. The densities of the films were estimated from their refractive indices using effective medium approximation. The average oscillator strength and its associated wavelength were estimated using a Sellmeier-type dispersion equation. Absorption coefficient (α) and the band-gap energy (E_g) were obtained for undoped and La doped films with varying La concentration. It was found that the refractive index and packing fraction values decrease with La doping. La doping was found to decrease the grain size of the films and increase the density of individual grains. Increased La content led to clustering of smaller grains. The observed variation of band-gap energy with La doping has been correlated to the observed microstructure of these films.     

Effect of annealing temperature on optical and electrical properties of ZrO2–SnO2 nanocomposite thin films

ZrO₂–SnO₂ nanocomposite thin films were deposited onto quartz substrate by sol–gel dip-coating technique. Films were annealed at 500, 800 and 1,200 °C respectively. X-ray diffraction pattern showed a mixture of three phases: tetragonal ZrO₂ and SnO₂ and orthorhombic ZrSnO₄. ZrSnO₄ phase and grain size increased with annealing temperature. Fourier transform infra-red spectroscopy spectra indicated the reduction of –OH groups and increase in ZrO₂–SnO₂, by increasing the treatment temperature. Scanning electron microscopy observations showed nucleation and particle growth on the films. The electrical conductivity decreased with increase in annealing temperature. An average transmittance greater than 80 % (in UV–visible region) was observed for all the films. The optical constants of the films were calculated. A decrease in optical band gap from 4.79 to 4.59 eV was observed with increase in annealing temperature. Photoluminescence (PL) spectra revealed an emission peak at 424 nm which indicates the presence of oxygen vacancy in ZrSnO₄. PL spectra of the films exhibited an increase in the emission intensity with increase in temperature which substantiates enhancement of ZrSnO₄ phase and reduction in the non-radiative defects in the films. The nanocomposite modifies the structure of the individual metal oxides, accompanied by the crystallite size change and makes it ideal for gas sensor and optical applications.     

Effect of stabilizer on optical and structural properties of MgO thin films prepared by sol–gel method

The effects of monoethanolamine (MEA) and acetylacetone (ACAC) addition as stabilizer on the crystallization behaviour, morphology and optical properties of magnesium oxide were investigated using thermogravimetry (TG/DTG), X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Visible, photoluminescence (PL) and Fourier transform infrared (FTIR) spectroscopy. Stabilizer addition reduces transparency of the films. MgO films prepared at 500 °C showed weak orientation of (200). However, the films prepared by addition of stabilizer are amorphous. MgO powders were prepared for exhibiting the structural properties. The patterns of MgO powders showed a preferred orientation of (200). The addition of stabilizer causes a reduction in grain size. SEM micrographs show that a homogenous and crack-free film can be prepared at 500 °C and addition of stabilizer causes an increase in packing density.     

Effect of annealing on optical properties of thin films with β-FeSi2 quantum dots

Reactive deposition epitaxy was used to prepare β-FeSi₂ nanodots on a Si(001) surface. The influence of annealing on optical properties has been studied. Annealing increases the particle size and decreases absorption. The indirect optical transition at 0.84-0.89 eV dominates the absorption spectra below 1.3-1.5 eV. The film with smaller nanoparticles exhibits higher absorption with direct optical transition energies in the 1.3-1.5 eV range. It suggests that direct transition is dominant only in small (around 3 nm diameter) β-FeSi₂ nanodots. Larger particles are dominated by the indirect optical transition.