Band structure and cluster model calculations of LaNiO3 compared to photoemission,O 1s X-ray absorption,and optical absorption spectra

We studied the electronic structure of LaNiO₃ using band structure and cluster model calculations. This compound is a paramagnetic metal with a R3?c rhombohedral structure. The band structure was calculated using the generalized gradient approximation (GGA). The cluster model was solved using the configuration interactions (CI) many-body method. We present results for the density of states (DOS), the spectral weight, and the dielectric function ${\epsilon }_2$. The calculations are compared to previous photoemission (PES), O 1s X-ray absorption (XAS), as well as optical absorption spectra. Both band structure and cluster model results are in good agreement with the experimental data. We point out that this concordance is very rare and far from trivial; we argue that this may be due to the unusual characteristics of the ground state of LaNiO₃.     

Band alignment of Ga2O3/6H-SiC heterojunction

A high-quality Ga₂O₃ thin film is deposited on an SiC substrate to form a heterojunction structure. The band alignment of the Ga₂O₃/6H-SiC heterojunction is studied by using synchrotron radiation photoelectron spectroscopy. The energy band diagram of the Ga₂O₃/6H-SiC heterojunction is obtained by analysing the binding energies of Ga 3d and Si 2p at the surface and the interface of the heterojunction. The valence band offset is experimentally determined to be 2.8 eV and the conduction band offset is calculated to be 0.89 eV, which indicate a type-II band alignment. This provides useful guidance for the application of Ga₂O₃/6H-SiC electronic devices.     

Efficient band structure engineering and visible-light response in ZrS2/GaS heterobilayer by electrical field or external strains

Via first-principle methods, the electronic structures and optical properties of 2D ZrS₂/GaS van der Waals heterostructure (vdWH) are studied. It is found that the band alignment changes from type-II to type-I under negative electrical field, and compressive strains. The transition points are -0.2 V/Å and -1%, respectively. The band gap changes efficiently under positive electrical field and compressive strains. The tensile strains increase the optical adsorption coefficients in ultraviolet regions, while the compressive strains increase the optical adsorption coefficients in visible region significantly.     

Structure, thermally and optically induced effects in amorphous As2Se3 films prepared by pulsed laser deposition

Thin amorphous As-Se films were prepared by pulsed laser deposition (PLD) and by classical thermal evaporation techniques. Raman spectra and optical properties (optical gap, E_g^opt, index of refraction, n, third-order non-linear susceptibility, χ⁽³⁾) of prepared films and their photo- and thermally induced changes were studied. The structure of laser deposited films was close to the corresponding bulk glasses contrary to thermal evaporated films. The composition of PLD films was practically unchanged during the process of deposition. The optically and thermally induced changes of n and of E_g^opt in PLD films are different from the changes in thermally deposited films. The differences are discussed.     

Second harmonic generation in In2O3–SiON films doped by Al and Sn

Photoinduced optical and second-order non-linear optical effects in the interfaces separating In₂O₃–SiON (O/N ratio equals 1) films doped with A1, Sn and glass substrates were investigated using the photoinduced optical second harmonic generation. The photoinduced effective second-order optical susceptibility d_eff (at λ=1.76 μm) shows a good correlation with the linear optical susceptibility, particularly with the shift of the absorption edge. The maximal response of the photoinduced optical response signal was observed for the pump–probe delaying time of 34 ps. The performed experimental measurements indicate that the observed effects are mainly caused by the interface potential gradients on the border glass–In₂O₃–SiON film and by additional polarization due to insertion of the Al and Sn atoms. The observed phenomenon may be proposed as a sensitive tool for investigation of thin semiconducting interfacial layers and simultaneously such films may be used as materials for non-linear optical devices.     

Preparation of nanowall Bi2S3 films by chemical bath deposition

Nanowall shaped Bi₂S₃ films were prepared by chemical bath deposition in which ammonium citrate and thioacetamide were used as chelating reagent and sulfur source, respectively. The nanowall Bi₂S₃ films show large-surface-area nanowall shaped morphology. It is found that the pH value (pH = 6 or pH = 6.5) of the solution is a crucial parameter to obtain the nanowall shaped Bi₂S₃ films. The composition of the nanowall Bi₂S₃ films is close to the stoichiometric ratio of Bi₂S₃. The absorption edge of the nanowall shaped Bi₂S₃ films is located at around 900 nm, indicating that the optical bandgap of the Bi₂S₃ films is around 1.4 eV. The nanowall Bi₂S₃ films show obvious photo-sensitivity. The photo-to-dark conductivity ratios of the nanowall Bi₂S₃ films prepared at pH = 6 and pH = 6.5 are all around 50. This value is around five times than that of the non-nanowall shaped Bi₂S₃ films which is prepared at pH = 7.     

In situ grown epitaxial YBa2Cu3O7 − x thin films by pulsed laser deposition under reduced oxygen pressure during cool-down time

We report novel pulsed laser deposition conditions that were used to obtain superconducting epitaxial YBCO thin films, grown in situ using an oxygen pressure lower than the usual one during the cool-down time. We studied the influence of the PLD conditions as substrate temperature, oxygen pressure, laser fluence, and number of laser pulses on the crystallographic and morphological features, and on the superconducting properties of the films. Good superconducting properties were obtained without a high temperature post-deposition annealing process. A maximum critical temperature of 88.6 K was obtained.     

Crystallisation of TiO2 thin films induced by excimer laser irradiation

Titanium dioxide thin films have been deposited by reactive magnetron sputtering on glass substrate and subsequently irradiated by UV radiation using a KrF excimer laser. In this work, we have study the influence of the laser fluence (F) ranging between 0.05 and 0.40 mJ/cm² on the constitution and microstructure of the deposited films. Irradiated thin films are characterized by profilometry, scanning electron microscopy and X-ray diffraction. As deposited films are amorphous, while irradiated films present an anatase structure. The crystallinity of the films strongly varies as a function of F with maximum for F = 0.125 J/cm². In addition to the modification of their constitution, the irradiated areas present a strongly modified microstructure with appearance of nanoscale features. The physico-chemical mechanisms of these structural modifications are discussed based on the theory of nucleation.     

Synthesis and materials properties of transparent conducting In2O3 films prepared by sol-gel-spin coating technique

Transparent conducting indium oxide (In₂O₃) thin films have been prepared on glass substrates by the simple sol-gel-spin coating technique. These films have been characterized by X-ray diffraction, resistivity and Hall effect measurements, optical transmission, scanning electron microscopy and atomic force microscopy for their structural, electrical, optical and morphological properties. The influence of spin parameters, number of coating, process temperature on the quality of In₂O₃ films are studied. In the operating range of deposition, 400-475 °C, all the films showed predominant (2 2 2) orientation. Films deposited at optimum process conditions exhibited a resistivity of 2×10⁻² Ω cm along with the average transmittance of about 80% in the visible spectral range (400-700 nm).     

Improved initial epitaxial growth of superconducting YBa2Cu3O7 thin films on Y–ZrO2 substrates with a La1.85Sr0.15CuO4 buffer layer

Epitaxial thin films of YBa₂Cu₃O₇ (YBCO) have been deposited on Y–ZrO₂ (YSZ) substrates by means of the pulse laser deposition technique. It has been found that the initial epitaxy of YBCO thin films grown on YSZ can be significantly improved by using La_1.85Sr_0.15CuO₄ (LSCO) as a buffer layer. X-ray diffraction measurements show that the epitaxial YBCO films have single in-plane orientation with YBCO [100]LSCO [100] and LSCO [100]YSZ [110]. The real-time resistance measurements reveal that with LSCO buffer layers the initial formation of the YBCO ultra-thin films changes from the island growth to the layer-by-layer growth.     

Chemical,optical, and electrical characterization of Ga2O3 thin films grown by plasma-enhanced atomic layer deposition

Thin Ga₂O₃ films were grown on Si (100) using trimethylgallium (TMG) and oxygen as the precursors through plasma-enhanced atomic layer deposition. The depositions were made over a temperature range of 80–250?°C with a growth per cycle of around 0.07 nm/cycle. Surface self-saturating growth was obtained with TMG pulse time ≥20?ms?at a temperature of 150?°C. The root mean square surface roughness of the obtained Ga₂O₃ films increased from 0.1?nm to 0.3?nm with increasing the growth temperature. Moreover, the x-ray photoelectron spectroscopy analysis indicated that the obtained film was Ga-rich with the chemical oxidation states Ga³⁺ and Ga¹⁺, and no carbon contamination was detected in the films after Ar⁺ sputtering. The electron density of films measured by x-ray reflectivity varied with the growth temperature, increasing from 4.72 to 5.80?g/cm³. The transmittance of Ga₂O₃ film deposited on a quartz substrate was obtained through ultraviolet visible (UV–Vis) spectroscopy. An obvious absorption in the deep UV region was demonstrated with a wide band gap of 4.6–4.8?eV. The spectroscopic ellipsometry analysis indicated that the average refractive index of the Ga₂O₃ film was 1.91?at 632.8?nm and increased with the growth temperature due to the dense structure of the films. Finally, the I-V and C-V characteristics proved that the Ga₂O₃ films prepared in this work had a low leakage current of 7.2?×?10^?11 A/cm² at 1.0?MV/cm and a high permittivity of 11.9, suitable to be gate dielectric.     

Energy band alignment of 2D/3D MoS2/4H-SiC heterostructure modulated by multiple interfacial interactions

The interfacial properties of MoS₂/4H-SiC heterostructures were studied by combining first-principles calculations and X-ray photoelectron spectroscopy. Experimental (theoretical) valence band offsets (VBOs) increase from 1.49 (1.46) to 2.19 (2.36) eV with increasing MoS₂ monolayer (1L) up to 4 layers (4L). A strong interlayer interaction was revealed at 1L MoS₂/SiC interface. Fermi level pinning and totally surface passivation were realized for 4H-SiC (0001) surface. About 0.96e per unit cell transferring forms an electric field from SiC to MoS₂. Then, 1L MoS₂/SiC interface exhibits type I band alignment with the asymmetric conduction band offset (CBO) and VBO. For 2L and 4L MoS₂/SiC, Fermi level was just pinning at the lower MoS₂ 1L. The interaction keeps weak vdW interaction between upper and lower MoS₂ layers. They exhibit the type II band alignments and the enlarged CBOs and VBOs, which is attributed to weak vdW interaction and strong interlayer orbital coupling in the multilayer MoS₂. High efficiency of charge separation will emerge due to the asymmetric band alignment and built-in electric field for all the MoS₂/SiC interfaces. The multiple interfacial interactions provide a new modulated perspective for the next-generation electronics and optoelectronics based on the 2D/3D semiconductors heterojunctions.     

Electrical and photoresponse characteristics of 8-(1H-indol-3-ylazo)-naphthalene-2-sulfonic acid/n-Si photodiode

In this paper, of primary interest is to synthesis 8-(1H-indol-3-ylazo)-naphthalene-2-sulfonic acid (INSA) and to evaluate the main parameters of Au/INSA/n-Si/Al diode in dark and under illumination. Different techniques are used for interpreting the proposed INSA chemical structure. The dark current-voltage measurements were achieved in the temperature range of 293?413 K. It is noticed that INSA films modify the interfacial barrier height of classical Au/n-Si junction. At low applied voltages, the I–V relation shows exponential behavior. The values ideality factor, n, and the barrier height, φ, are improved by heating. The abnormal trend of n and φ is discussed, and a homogenous barrier height of 1.45 eV is evaluated. The series resistance is also calculated using Norde's function and it changes inversely with temperature. The space charge limited current ruled with exponential trap distribution dominates at relatively high potentials, trap concentration and carriers mobility are extracted. The reverse current of the diode has illumination intensity dependence with a good photosensitivity indicating that the device is promising for photodiode applications.     

Photoexpansion and photobleaching effects in oxysulfide thin films of the GeS2+Ga2O3 system

Oxysulfide systems undergo structural transformations upon illumination with laser light of near bandgap energy, as well as chalcogenide materials (glasses and films). In this paper, photoinduced effects such as photoexpansion and photobleaching were observed in GeS₂+Ga₂O₃ (GGSO) films synthesized by electron beam evaporation. A surface expansion of the thin films and a shift to shorter wavelengths of the optical absorption edge were observed as a result of UV laser irradiation (wavelength of 351 nm) and they are dependent on laser power density, exposure time and film composition. These parameters were varied to evaluate and enhance the observed effects. In addition, the irradiated GGSO samples exhibited a decrease in refractive index, measured with a prism-coupling technique, which makes these films suitable candidates for applications as gratings and waveguides in integrated optics.     

Electrochemical behavior of Al2O3/Al composite coated Al electrodes through surface mechanical alloying in alkaline media

The behavior of $A{l}_2{O}_3/Al$ composite coated Al electrodes fabricated by surface mechanical alloying ‘SMA’ was studied. The work was accomplished using Cyclic voltammetry and electrochemical impedance spectroscopy (EIS) techniques in alkaline media $2MKOH$ were done at room temperature. Results show hydroxyl ions accumulate on the surface due to Al deformation micro cavities filling with $A{l}_2{O}_3$ until full charge blockage reached. A barrier cover layer development causing an increase of both resistance and capacitance as it becomes more stable and thinner with exposure time increase. Migrating hydroxyl ion inside micro cavity changed its composition from Al₂O₃ to stable tetrahedral $Al{\left(OH\right)}_4^{?}$ aluminate ions. Therefore future benefits could be reached by developing such surfaces having charge accumulation that enables environmental interaction.     

Annealing temperature effect on the properties of mercury-doped TiO2 films prepared by sol-gel dip-coating technique

This work presents the annealing temperature effect on the properties of mercury (Hg)-doped titanium dioxide (TiO₂). Thin films and polycrystalline powders have been prepared by sol-gel process. The structure, surface morphology and optical properties, as a function of the annealing temperature, have been studied by atomic force microscopy (AFM), Raman, reflectance and ellipsometric spectroscopies. In order to determine the transformation points, we have analyzed the xerogel-obtained powder by differential scanning calorimetry (DSC). Raman spectroscopy shows the crystalline anatase and rutile phases for the films annealed at 400 °C and 1000 °C respectively. The AFM surface morphology results indicate that the particle size increases from 14 to 57 nm by increasing the annealing temperature. The complex index and the optical band gap (E_g) of the films were determined by the spectroscopic ellipsometry analysis. We have found that the optical band gap decreases by increasing the annealing temperature.     

Properties of In2S3 thin films deposited onto ITO/glass substrates by chemical bath deposition

In₂S₃ films have been chemically deposited on ITO coated glass substrates by chemical bath deposition, using different deposition times and precursor concentrations. The bilayers are intended for photovoltaic applications. Different characterization methods have been employed: optical properties of the films were investigated from transmittance measurements, structural properties by XRD and micro-Raman, and surface morphology by SEM microscopy analysis. Also, the direct and indirect band-gaps and the surface gap states were studied with surface photovoltage spectroscopy (SPS). We proposed that electronic properties of the In₂S₃ samples are controlled by two features: shallow tail states and a broad band centred at 1.5 eV approximately. Their relation with the structure is discussed, suggesting that their origin is related to defects created on the S sub-lattice, and then both defects are intrinsic to the material.     

金属纳米颗粒在Lu_2O_3薄膜中的应变场分析

利用有限元分析法对镶嵌在Lu2O3薄膜中的Au、Cu、Pt、Co金属纳米颗粒的应变场分布进行分析.分析表明:金属纳米颗粒在生长过程中受Lu2O3薄膜的压缩应力作用,从而在纳米颗粒内部和表面产生相应应变,应变分布与金属纳米颗粒的杨氏模量和泊松比有关.杨氏模量大的金属纳米颗粒表面应变和内部应变差异较大;而杨氏模量小的金属纳米颗粒内外应变差相对较小.随着金属纳米颗粒在基体材料内部不断生长,其受到的偏应变也逐渐增大.金属纳米颗粒生长过程中的这种偏应变的存在和变化将极大地影响其内部晶格结构和表面形貌,进而影响金属纳米颗粒的性能.     

Modification of laser induced damage threshold of ZrO2 thin films by using time-temperature gradient annealing

As a result of using time-temperature gradient annealing, the structural and optical properties and hence, thermal properties of ZrO₂ thin films deposited by electron gun, enhanced considerably compared with rapid thermal annealing. Also, it can be seen time- temperature gradient annealing caused to decrease the total stress and number of thermal barrier along the film. Therefore, according to our experimental results, which is agree with theoretical analysis, the laser induced damage threshold of ZrO₂ films can be enhanced significantly compared with rapid annealing procedure.     

Characterization of CuAlO2 thin film prepared by rapid thermal annealing of an Al2O3/Cu2O/sapphire structure

CuAlO₂ thin film was successfully prepared by rapid thermal annealing of an Al₂O₃/Cu₂O/sapphire structure in air above 1000 °C. The film was mostly with single crystalline structure as verified by X-ray diffraction methods. We found that crystal quality and electrical conductivity of the films were affected by the cooling rate after annealing. The highest conductivity obtained in this work was 0.57 S/cm. Optical gap of this film was determined to be 3.75 eV.