Electronic structure of GaAs1−xNx under pressure

The electronic band structures of GaAs_1−xN_x for x=0.009, 0.016, 0.031 and 0.062 are calculated ab initio using a supercell approach in connection with the full-potential linear muffin-tin orbital method. Corrections for the ‘LDA gap errors’ are made by adding external potentials which are adjusted to yield correct gaps in pure GaAs. Even small amounts of nitrogen modify significantly the conduction bands, which become strongly non-parabolic. The effective mass in the lowest conduction band thus exhibits strong k-vector dependence. Calculated variations of gaps and effective masses with x and externally applied pressure are presented and compared to a variety of experimental data. There are significant error bars on our results due to the use of the supercell approach. These are estimated by examining the effects of varying the geometrical arrangement of the N-atoms substituting As. However, the calculations show that the electron mass for x>0.009 is much larger than that of pure GaAs, and that it decreases with x.     

Observation of new critical point in InxAl1−xAs alloy using spectroscopic ellipsometry

Using a spectroscopic ellipsometry, pseudodielectric functions 〈?〉 of In_xAl_1−xAs ternary alloy films (x = 0.43, 0.62, 0.75, and 1.00) from 0.74 to 6.48 eV were determined. Fast in-situ chemical etching to effectively remove surface overlayers using charge-coupled device detector and to avoid the reoxidation of the surface of films prior to the ellipsometric spectrum measurement was performed. At the high energy region, an additional critical point structure which is interpreted as the E′₁ transition from the band structure calculation of the linear augmented Slater-type orbital method was reported.     

Temperature dependence of the refractive index of crystalline germanium-silicon alloys

We report the results of an ellipsometric study of Si_xGe_1-x alloy crystals for x=0.89, 0.62, and 0.09 in the 80–800 K temperature range. The temperature coefficients of the infrared refractive index are obtained for the three compositions, 2.6, 3.0, and 4.5 10^–4 K^–1, respectively.     

Ellipsometric study of a-Be3N2 thin films prepared by radio frequency magnetron sputtering

The ellipsometric characterizations of amorphous beryllium nitride (a-Be₃N₂) thin films deposited on Si (1 0 0) and quartz at temperature <50 °C using reactive RF sputtering deposition were examined in the wavelength range 280-1600 nm. X-ray diffraction of the films showed no structure, suggesting the Be₃N₂ films grown on the substrates are amorphous. The composition and chemical structures of the amorphous thin films were determined by using electron spectroscopy for chemical analysis. The surface morphology of a-Be₃N₂ was characterized by atomic force microscopy. The thicknesses and optical constants of the films were derived from spectroscopic ellipsometry measurements. The variation of the optical constants with thickness of the deposited films has been investigated. From the angle dependence of the polarized reflectivity we deduced a Brewster angle of 64°. At any angle of incidence, the a-Be₃N₂ shown high transmissivity (80-99%) and low reflectivity (<18%) in the visible and near infrared regions. Hence, the a-Be₃N₂ could be a good candidate for antireflection optical coatings under conditions of optimized the type of polarization and the angle of incidence.     

Refractive index and dielectric constants of GaxIn1−xP: Disorder effect

A pseudopotential scheme, which incorporates compositional disorder as an effective potential, is used so as to calculate the optical properties of Ga_xIn_1−xP ternary alloys in the zinc-blende structure. Generally, the agreement between our results and the existing data in the literature is reasonable. The composition dependence of the studied features showed a non-monotonic behaviour for most studied features. Reasons for these findings are discussed. Moreover, the effect of the compositional disorder on the features of interest has been examined and found to be important for the calculation of optical properties of Ga_xIn_1−xP.     

Spectroscopic studies of (AsSe)100−xAgx thin films

Thin (AsSe)_100−xAg_x films have been grown onto quartz substrates by vacuum thermal evaporation or pulsed laser deposition from the corresponding bulk materials. The amorphous character of the coatings was confirmed by X-ray diffraction investigations. Their transmission was measured within the wavelength range 400-2500 nm and the obtained spectra were analyzed by the Swanepoel method to derive the optical band gap E_g and the refractive index n. We found that both parameters are strongly influenced by the addition of silver to the glassy matrix: E_g decreases while n increases with Ag content. These variations are discussed in terms of the changes in the atomic and electronic structure of the materials as a result of silver incorporation.     

Isotopic disorder effect in the infrared reflection spectra of LixLi1−xY F4 single crystals

Polarized infrared reflection spectra of LiY F₄ single crystals with different compositions of ⁷Li and ⁶Li isotopes were measured and analysed using the model of independent oscillators. Lattice dynamics calculations were performed. It was found that, for some modes, the contribution of the isotopic disorder to the damping constant is comparable to the anharmonic width. Results of simulations agree qualitatively with the experimental data. Possible reasons for the remaining discrepancies are discussed.     

Study of the optical-electrical characteristics of InxGa1−xN alloy with low in doping

The electronic structures and optical properties of In doped GaN were calculated with different doping concentration, from first-principles using density function theory with the plane-wave ultrasoft pseudopotential method. The influence of In doping on the volume, interactions among atoms, density of states, electron density difference, and optical properties of GaN was analyzed. The results show that the interactions among atoms are reduced, band gap decreases, and absorption spectra have red shift along with the increase of In doping concentration.     

Investigation on optical transmission spectra of (1−x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 single crystals

The optical transmission spectra from 0.3 to 11 μm of relaxor ferroelectric single crystals (1−x)Pb(Mg_1/3Nb_2/3)O₃-xPbTiO₃ (PMN-xPT) were systematically studied at room temperature in this paper. The crystal is transparent between 0.45 and 5.5 μm and becomes completely absorbing around 0.4 μm in near UV region and 10 μm in infrared region. But the wavelength cutoff in near UV is much sharper than the long wavelength cutoff. As compared with other configurations, tetragonal single crystals possess the optimal transmission properties. The optical transmittance in the wavelength region from 0.45 to 5.5 μm is about 70%. The results show that tetragonal PMN-xPT single crystals are promising for a wide range of optical applications. Some discussions about the oxygen-octahedra structure that determines the basic energy level of the crystals are also presented on the optical properties of PMN-xPT single crystals.     

Optical properties of bulk Zn1−xCoxO magnetic semiconductors

Polycrystalline Zn_1−xCo_xO (x=0, 0.02, 0.05, 0.10 and 0.15) oxides have been synthesized by solid state reaction via sintering ZnO and Co powders in open air. X-ray diffraction analyses using Rietveld refinement indicate that a stoichiometric single phase with a wurtzite-like structure was found in Zn_1−xCo_xO samples with x up to 0.10. The elemental mapping using energy dispersive X-ray spectroscopic analyses presents a uniform distribution of Co. Optical transmittance measurements show that several extra absorption bands appear in the Co-doped ZnO, which is due to the transitions between the crystal-field-split 3d levels of tetrahedral Co²⁺ substituting Zn²⁺ ions. Raman measurements show that limited host lattice defects are induced by Co doping. Magnetization measurements reveal that the Co-doped ZnO samples are paramagnetic due to the absence of free carriers and in low temperature the dominant magnetic interaction is nearest-neighbor antiferromagnetic.     

Phase sensitive spectroscopy of the polariton modes in a ZnSe-ZnSxSe1−x heterostructure

Applying the method of spectral interferometry we investigate the phase of reflected light at a ZnSe-ZnS_xSe_1−x heterostructure. We find a series of polariton modes propagating through the ZnSe layer. They can be related to the different polariton branches split of at the heavy- and light-hole excitons. The phase shows pronounced changes around these modes. The strongest changes by 2π appear at the modes of lowest order located weakly above the exciton resonances, while they are smaller for higher modes. Our experimental findings can be explained considering spatial dispersion, Pekar's additional boundary conditions and a weak extension of the excitonic polarization into the ZnS_xSe_1−x cladding layers.     

Properties of optical phonons in Zn1−x−yMgyBexSe quaternary mixed crystal

Long wavelength optical lattice vibration and dielectric constants of the quaternary mixed crystal Zn_1−x−yMg_yBe_xSe are investigated based on the pseudo-unit-cell mode and Born-Huang procedure. It is found that this material shows a three-mode behavior and the oscillator strength of each mode is mainly controlled by only one component. The theoretical results also show that the linear interpretation method for dielectric constants is reliable. The vibrational frequencies and the oscillator strengths of the ternary mixed crystals Be_xZn_1−xSe, Be_xMg_1−xSe and Mg_xZn_1−xSe are also calculated as special cases of the quaternary mixed crystal for comparing with experiments. The calculation shows agreement with the experimental results.     

Electro-optic characterization of tetragonal (1−x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 single crystals by a modified Sénarmont setup

The refractive indices of tetragonal (1−x)Pb(Mg_1/3Nb_2/3)O₃-xPbTiO₃ (PMN-xPT) single crystals were measured with a prism coupler and their linear electro-optic (EO) properties were investigated from 20 to 80 °C by the automated scanning Sénarmont system with an ac field. The composition and temperature effect on the EO coefficients were also discussed. It has been found that their EO coefficients are much larger than that of widely used LiNbO₃ single crystal and the calculated half-wave voltages are also much lower, which enable the operation at lower voltages and the smaller device dimensions. Since the excellent EO properties are very stable and such high quality single crystals with large-size have been obtained, the PMN-xPT single crystals are a very promising candidate for EO modulation applications. By linking to the polarization-related quadratic EO coefficients, we find that the linear EO properties are related with the spontaneous polarization and dielectric constants.     

Growth and properties of magnetron cosputtering grown MnxGe1−x on Si (001)

We have grown Mn_xGe_1−x films (x=0, 0.06, 0.1) on Si (001) substrates by magnetron cosputtering, and have explored the resulting structural, morphological, electrical and magnetic properties. X-ray diffraction results show there is no secondary phase except Ge in the Mn_0.06Ge_0.94 film while new phase appears in the Mn_0.1Ge_0.9 film. Nanocrystals are formed in the Mn_0.06Ge_0.94 film, determined by field-emission scanning electron microscopy. Hall measurement indicates that the Mn_0.06Ge_0.94 film is p-type semiconductor and hole carrier concentration is 6.07×10¹⁹ cm⁻³ while the Mn_xGe_1−x films with x=0 has n-type carriers. The field dependence of magnetization was measured using alternating gradient magnetometer, and it has been indicated that the Mn_0.06Ge_0.94 film is ferromagnetic at room temperature.     

Determination of the dielectric function of porous silicon by high-order laser-harmonic radiation

Porous-silicon reflectance has been determined over a large energy range, from 1 eV to 16 eV, by combining a NIR/visible/UV spectrometer with a new VUV light source as laser-harmonic radiation. The porous-silicon dielectric function was deduced from reflectance measurements by Kramers–Kronig analysis. We point out that, for the first time, laser harmonics have been applied in the optical characterization of materials as a new and suitable alternative to synchrotron radiation. Received: 9 January 2001 / Accepted: 28 April 2001 / Published online: 20 June 2001     

X-ray photoelectron spectroscopy characterization of the layered intercalated compound K2xMn1 − xPS3

Polycrystalline powders of the layered MnPS₃ compound have been intercalated with K⁺ ions by ion-exchange to yield the K_2xMn_1 − xPS₃ intercalate. X-ray photoelectron spectroscopy has been applied to learn about the electronic structure of this compound. In particular, we have studied the XPS spectra of the Mn 2p and 3p, P and S 2p, K 2p and 3p core levels and of the valence band region. The binding energies for various core levels of the elements present in this compound and their observed chemical shifts are analyzed. The data give evidence for the lack of non-equivalent atoms of K, Mn, P and S. Shake-up satellites are present at the Mn 2p and 3p core levels. The occurrence of such lines allows us to hypothesize that K_2xMn_1 − xPS₃ is a large-gap insulating Mn compound. Confirmation that only an ion transfer accompanies the intercalation process is given from both the strong observed similarity with the corresponding XPS spectra in MnPS₃ and the observed binding energy positions of the K 2p and 3p levels. As regards the valence band XPS spectrum, the observed analogies with the corresponding XPS spectra of the pure compound and of other K compounds have allowed us to single out two regions and their probable contributors.     

Optical characterisation of CuInSe2 thin films prepared by two-stage process

Optical absorption spectra of CuInSe₂ chalcopyrite semiconductor films prepared using a two-stage technique were investigated. In addition to absorption measurements, energy-dispersive analysis of X-rays (EDAX) and X-ray diffraction measurements (XRD) were also performed. Direct bandgap energy values for the CuInSe₂ films were derived from the variation of (αhν)² with energy. All the measurements were performed on samples with various Cu/In ratios. It was determined from the absorption measurements that the materials have strong absorption at the fundamental band edge. The E_g values showed an increasing trend with decreasing Cu/In ratios. Received: 26 May 2000 / Accepted: 31 October 2000 / Published online: 10 January 2001     

Theoretical consideration of pits recording and etching processes in chalcogenide vitreous semiconductors

We propose theoretical consideration, computer modeling and comparison with our recent experimental results for information pits recording and etching processes in chalcogenide vitreous semiconductors using Gaussian laser beam and selective etching. Our calculations demonstrate that photo-transformed region cross-section could be almost trapezoidal or parabolic depending on the photoresist material optical absorption, exposure, etchant selectivity and etching time. Thus our approach open possibilities how to select the necessary recording procedure and etching conditions in order to obtain pits with the optimum shape and sizes in As₄₀S₆₀ chalcogenide semiconductor. Obtained results quantitatively describe the characteristics of pits recorded by the Gaussian laser beam in thin film of As₄₀S₆₀.     

Combinatorial ion beam synthesis of CdSxSe1−x nanocrystals

In this presentation we focus on the synthesis of buried multielemental semiconductor nanoparticles by sequential high dose ion implantation and post-implantation annealing. Nanocluster formation and alloying was studied by Raman-, Rutherford Backscattering Spectroscopy (RBS) and X-ray diffraction analysis (XRD) on a materials library of CdS_xSe_1−x nanoclusters buried in thermally grown SiO₂ on silicon. Characteristic peak shifts of the LO-Raman signal and XRD-peaks due to varying S- and Se-fraction indicate that the ion beam synthesized clusters consist of a solid solution of Cd, S and Se. In addition the influence of the implanted dose ratios on the structural evolution of the nanocluster-SiO₂ system will be discussed.     

Structural and optical properties of a-Si1−xCx:H films synthesized by dc magnetron sputtering technique

Hydrogenated amorphous SiC films (a-Si_1−xC_x:H) were prepared by dc magnetron sputtering technique on p-type Si(1 0 0) and corning 9075 substrates at low temperature, by using 32 sprigs of silicon carbide (6H-SiC). The deposited a-Si_1−xC_x:H film was realized under a mixture of argon and hydrogen gases. The a-Si_1−xC_x:H films have been investigated by scanning electronic microscopy equipped with an EDS system (SEM-EDS), X-ray diffraction (XRD), secondary ions mass spectrometry (SIMS), Fourier transform infrared spectroscopy (FTIR), UV-vis-IR spectrophotometry, and photoluminescence (PL). XRD results showed that the deposited film was amorphous with a structure as a-Si_0.80C_0.20:H corresponding to 20 at.% carbon. The photoluminescence response of the samples was observed in the visible range at room temperature with two peaks centred at 463 nm (2.68 eV) and 542 nm (2.29 eV). In addition, the dependence of photoluminescence behaviour on film thickness for a certain carbon composition in hydrogenated amorphous SiC films (a-Si_1−xC_x:H) has been investigated.