Thermally stimulated electromagnetic-field spectra in planar structures of complex composition: I. Nonradiative fields

It is demonstrated that a wealth of unambiguous information on the details of the atomic-lattice dynamics of solid-solution films can be acquired from a spectral study of the resonance features of thermal fields in immediate proximity to the planar-structure surface. The calculated spectral densities of the p- and s-polarized states of the nonradiative component of thermal fields in a plane-layered (or Cd _x Zn_{1 ? x} Te solid solution film-on-metal substrate) system are compared using the refraction additivity principle. The spectral densities are calculated for different impurity concentrations and thicknesses of the film and various distances from the structure surface.     

Effect of nickel on the magnetic state of dysprosium in Dy<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Ni<Subscript>x</Subscript>-Ni bilayer films

This paper reports on the results of investigations into the temperature and spectral dependences of the magnetic circular dichroism in Dy_1?xNi_x-Ni bilayer films prepared through thermal sputter deposition of components under ultrahigh vacuum. The distribution of the components over the layer thickness is examined by Auger spectroscopy. The nickel content x in Dy_1?xNi_x layers varies from 0.005 to 0.06. It is shown that, in the temperature range 80–300 K, the contribution made to the magnetic circular dichroism by a Dy_1?xNi_x layer in a bilayer film with a nickel content higher than the threshold value is approximately equal to the magnetic circular dichroism observed in an isolated Dy_1?xNi_x film at temperatures below the temperature of the phase transition to a ferromagnetic state (～100 K). This phenomenon is explained by magnetic ordering in the Dy_1?xNi_x layer of the bilayer film due to the combined effect of two factors, namely, the incorporation of nickel into a dysprosium layer and the presence of a continuous nickel sublayer in the film.     

Mode dispersion in the optical-phonon spectra of mixed crystals ZnS1−x Sex

The IR reflection and the Raman spectra of ZnS_1?x Se_x crystals (0≤ x ≤ 1) are measured. The mode dispersion of the solid solutions is found to deviate from that calculated using an isodisplacement model. The reasons behind this deviation are discussed. Two additional modes are found in the frequency range between the ZnS-like TO and LO modes. It is assumed that one of them is a line of the second-order spectrum amplified by the Fermi resonance and the other is linked to the resonance (additional local) mode of Se impurity atoms. The latter conclusion is confirmed by calculating the spectrum of a Se impurity in a ZnS crystal in terms of the microscopic lattice dynamics theory in the low impurity concentration approximation. The oscillator strengths of the main and additional optical phonons in ZnS_1?x Se_x solid solutions are discussed.     

Magnetic, electric, and optical functionalities of (PLZT)x(BiFeO3)1−x ferroelectric-ferromagnetic thin films

We have prepared a series of (PLZT)_x(BiFeO₃)_1−x transparent thin films with thickness of 300 nm by a thermal pyrolysis method. Only films with x≦0.10 formed a single phase of perovskite structure. The film where x=0.10 exhibited both ferromagnetic and ferroelectric properties at room temperature with spontaneous magnetization and coercive magnetic fields of 0.0027μ_B and 5500 G, respectively. The remanent electric polarization and coercive electric field for the film where x=0.10 were 3.0 μC/cm² and 24 kV/cm, respectively. Additionally, films with 0.02≦x≦0.10 showed both magneto-optical effects and the second harmonic generation of transmitted light.     

Effects of Pb addition and heat treatment on optical properties of thermally evaporated Ge1−xSe2Pbx thin films

Thin chalcogenide films of Ge_1−xSe₂Pb_x (x=0, 0.2, 0.4, 0.6 and 0.8) have been prepared by the thermal evaporation technique, from previously synthesized bulk samples. The X-ray diffraction showed the amorphous nature for the as-deposited films and the partially crystalline for the annealed films. The optical constants (the refractive index, n, and absorption index k) were determined for as-deposited and annealed Ge_1−xSe₂Pb_x films of different thicknesses by using spectrophotometeric measurements of the transmittance and reflectance at normal incidence in the spectral range 200-2500 nm. The obtained values of both n and k were found to be independent of the film thickness. The optical absorption edges are described using both the Urbach rule and the indirect transition. In transparent region, the spectral dependences of refractive index were interpreted in the frame of a single oscillator model.     

On the transfer of line radiation in random magnetic fields

An analysis is made of the influence of a magnetic field of constant magnitude but with random orientations, described by the spherical coordinates θ and φ, on the polarization transfer in spectral lines. The assumption that the statistical properties of the field are determined by the one- and two-point probability densities P₁(x, θ, φ) and P₂(x₁, θ₁, φ₁; x₂, θ₂, φ₂) where x is the coordinate along the ray, implies that the variations of θ and φ can be considered as being due to a Markovian process in x. The expectation values of the Stokes parameters 〈Iγ〉, γ = 1, …4, are calculated functions of x or the optical depth τ. The formalism includes the limiting cases of infinite and zero correlation length. Assuming an artificial triplet and simple conditions, the results suggest that isotropic magnetic fields of the type considered have no influence on the polarization characteristics during the transfer.     

Ferromagnetism in amorphous Ge1−xMnx grown by low temperature vapor deposition

Magnetic properties of amorphous Ge_1−xMn_x thin films were investigated. The thin films were grown at 373 K on (100) Si wafers by using a thermal evaporator. Growth rate was ∼35 nm/min and average film thickness was around 500 nm. The electrical resistivities of Ge_1−xMn_x thin films are 5.0×10⁻⁴∼100 Ω cm at room temperature and decrease with increasing Mn concentration. Low temperature magnetization characteristics and magnetic hysteresis loops measured at various temperatures show that the amorphous Ge_1−xMn_x thin films are ferromagnetic but the ferromagnetic magnetizations are changing gradually into paramagnetic as increasing temperature. Curie temperature and saturation magnetization vary with Mn concentration. Curie temperature of the deposited films is 80-160 K, and saturation magnetization is 35-100 emu/cc at 5 K. Hall effect measurement at room temperature shows the amorphous Ge_1−xMn_x thin films have p-type carrier and hole densities are in the range from 7×10¹⁷ to 2×10²² cm⁻³.     

A theory of thin metal films: electron density,potentials and work function

Electron densities, potentials, and work functions of thin metal films are calculated self-consistently. The planar uniform-background model and the density-functional formalism are used similarly as in the theory of metal surfaces by Lang and Kohn. Electron densities and potentials are discussed for r_s = 4 both as function of the position in the film and of film thickness. Numerical results for the dependence of the work function on film thickness are given for r_s = 2, 3, 4, 5, 6. As functions of film thickness electron densities, potentials and work functions show oscillations with a period of one-half the Fermi wavelength. The amplitude of the oscillations in potentials and work functions is about 1 eV for one monolayer and 0.1 eV for films of 20 Å thickness. A comparison with non-self-consistent calculations reveals the necessity of self-consistent computations. The relevance of the results to work function measurements and to investigations of thermodynamic and transport properties are discussed. The influence of the film geometry on calculations designed for surfaces per se is examined.     

Observation of a correlation between the dependences of the radiative decay time and intensity of the impurity core-valence luminescence on excitation energy in K1−x CsxCl and Rb1−x CsxCl mixed crystals

A study of the spectral and kinetic parameters of impurity core-valence luminescence (CVL) excited by synchrotron radiation in K_1−x Cs_xCl and Rb_1−x Cs_xCl mixed crystals is reported. The dependences of the intensity and radiative decay time τ of impurity CVL on exciting photon energy hν have been found to be correlated. It is concluded that the observed τ = f(hv) relation originates from nonradiative decay of core excitations near the surface, which govern also the excitation spectral features in this spectral region. Fiz. Tverd. Tela (St. Petersburg) 41, 1973–1975 (November 1999)     

Effect of nonstoichiometry on the structure and dielectric properties of bismuth ferrite

Nonstoichiometric bismuth ferrite Bi _x FeO₃ 0.88 ≤ x ≤ 1.04) fabricated via solid-state synthesis is investigated by means of X-ray diffraction and electrical methods. The periodicity of the formation of impurity phases and variations in the structural parameters and densities of ceramic samples is established. The correlation between the number of impurity phases and characteristics of the dielectric spectra in the cation/anion-deficient (0.88 ≤ x < 1.00) and cation/anion-excess (1.00 < x ≤ 1.04) nonstoichiometry regions of Bi _x FeO₃ is confirmed. The observed effects are explained for the actual (defect) structure of bismuth ferrite.     

Density and related thermophysical properties of metastable liquid Ni-Cu-Fe ternary alloys

The densities of liquid Ni-Cu-Fe ternary alloy system were investigated by molecular dynamics method in combination with a MEAM (Modified Embedded Atom Method) potential model. The temperature range is from 1000 to 2200 K, including both a broad superheating range and a large undercooled regime. The densities of six Ni100−2xCuxFex alloys (x=0,10,20,30,40,50) decrease linearly with the rise of temperature at the superheated and undercooled states, and increase with the enhancement of Ni content. Among the simulated alloys, the densities of only liquid pure Ni and Ni₆₀Cu₂₀Fe₂₀ alloy are available in literatures, which are in good agreement with the calculated values. According to the relationship between the excessive volume and the alloy composition, it can be deduced that Ni100−2xCuxFex alloys deviate from ideal solution. Moreover, a comparison was also performed between the calculated results and the approximated values by Neumann-Kopp's rule. Based on the obtained density data, the thermal expansion coefficients are also derived. It firstly decreases to a minimum value, and then displays a rise with the increase of Ni content.     

Operation of a tokamak reactor in the radiative improved mode

The operation of a nuclear fusion reactor has been simulated within a model based on experimental results obtained at the TEXTOR-94 tokamak and other facilities in which quasistationary regimes were achieved with long confinement times, high densities, and absence of the edge-localized mode. The radiative improved mode of confinement studied in detail at the TEXTOR-94 tokamak is the most interesting such regime. One of the most important problems of modern tokamaks is the problem of a very high thermal load on a divertor (or a limiter). This problem is quite easily solved in the radiative improved mode. Since a significant fraction of the thermal energy is reemitted by an impurity, the thermal loading is significantly reduced. As the energy confinement time τ_E at high densities in the indicated mode is significantly larger than the time predicted by the scaling of ITERH-98P(y, 2), ignition can be achieved in a facility much smaller than the ITER facility at plasma temperatures below 20 keV. The revealed decrease in the degradation of the confinement time τ_E with an increase in the introduced power has been analyzed.     

Bounded perturbations of the P(ϕ)2 theory

As a perturbation to the P(?)₂ theory we consider interaction densities of the form V(?(x)), where ?(x) is a scalar hermitian boson field and V(α) is a bounded real continuous function. It is proved that the asymptotic fields exist and are equal to the asymptotic fields of the P(?)₂ theory. The connection with non-polynomial theories of rational type is indicated. Furthermore the consequences of a bounded perturbation for the S-matrix and the spectral properties are discussed.     

Elastic stress fields caused by a dislocation in Ge x Si1−x /Si film-substrate system

The elastic stress fields caused by a dislocation in Ge_xSi_(1-x) epitaxial layer on Si substrate are investigated in this work. Based on the previous results in an anisotropic bimaterial system,the image method is further developed to determine the stress field of a dislocation in the film-substrate system under coupled condition. The film-substrate system is firstly transformed into a bimaterial system by distributing image dislocation densities on the position of the free surface. Then,the unknown image dislocation densities are solved by using boundary conditions,i.e.,traction free conditions on the free surface. Numerical simulation focuses on the Ge0.1Si0.9/Si film-substrate system. The effects of layer thickness,position of the dislocation and crystallographic orientation on the stress fields are discussed. Results reveal that both the stresses σxx,σxz at the free surface and the stress σxy,σyy,σyz on the interface are influenced by the layer thickness,but the former is stronger. In contrast to the weak dependence of stress field on the crystallographic orientation the stress field was strongly affected by dislocation position. The stress fields both in the film-substrate system and bimaterial system are plotted.     

First-principles investigation of impurity concentration influence on bonding behavior,electronic structure and visible light absorption for Mn-doped BiOCl photocatalyst

We performed first-principles calculation to investigate the bonding behavior, electronic structure and visible light absorption of Mn_xBi_1−xOCl (x=0, 0.0625, 0.09375 and 0.125) using density functional theory (DFT) within a plane-wave ultrasoft pseudopotential scheme. The relaxed structural parameters are consistent with the experimental results. The bonding behavior, bond orders, Mulliken charges and bond populations as well as formation energies are obtained. The calculated band structures and density of states show that Mn incorporation results in some impurity energy levels of Mn 3d states in forbidden band as well as valence band and conduction band, and that Mn 3d states, for the modest Mn doping concentration, not only can act as the capture center of excited electrons under longer wavelength light irradiation, but also may trap the photo-excited holes, improving the transfer of photo-excited carriers to the reactive sites. Our calculated optical absorption spectra exhibit that the spectral absorption edge is obviously red-shifted and extends to the visible, red and infrared light region due to the incorporation of Mn. Our calculated absorption spectra are in excellent agreement with the experimental results of Mn-doped BiOCl photocatalyst.     

Band-to-band recombination in GaxIn1−xSb

The carrier lifetimes in Ga_xIn_1−xSb for radiative and Auger recombination are calculated for the temperature range 77–300 K and the composition range 0 ⩽ x ⩽ 1. The possible band-to-band Auger recombination mechanisms in direct-gap semiconductors are investigated. The Auger rates are calculated, including Boltzmann statistics and nonparabolic bands, using the Kane-band model. In the low temperature range, for lightly doped material, the carrier lifetime is determined by radiative recombination. At higher temperatures the CHCC process is dominant in n-type Ga_xIn_1−xSb but in p-type material the CHLH process is dominant. The influence of CHSH processes on the carrier lifetime is appreciable in p-type GaSb. The calculations are compared with experimental data reported by other authors.     

Perovskite-type oxide films combined with gratings for reduction of material consumption and improvement of thermochromism property

Combination of thermochromism of perovskite-type materials and gratings can result in some interesting variations of the spectral properties of structured surfaces. This paper aims at investigating thermal absorptive/radiative characteristics of structured thermochromic material La_0.825Sr_0.175MnO₃ (LSMO) with metallic and/or dielectric gratings. Numerical computation is conducted to obtain the distribution of the spectral absorptance of such structured surfaces with different structural parameters. The directional and temperature dependence of absorptance are also analyzed. The results reveal that compared with bulk LSMO material, the structured surface of LSMO achieves an improved thermochromic performance and much thinner layer of a structured LSMO film by combining the film with one-dimensional Al and SiO₂ gratings. Therefore, the other advantage of such structured surface is that the reduction of material consumption and weight is achieved due to the smaller LSMO layer thickness, which may be vital for thermal management of space vehicles.     

Moment compensation in NixRh1−x(Fe) from Moessbauer spectroscopy

The magnetic behaviour of very dilute ⁵⁷Fe(≈20 ppm) impurities in paramagnetic Ni_xRh_1?x (x = 0.42 and x = 0.55) alloys has been studied by Moessbauer spectroscopy in the temperature range between 11 and 0.05 K and in external fields up to 5.6 T. The magnetic moment associated with the Fe-impurity is determined via the dependence of the hyperfine magnetic field on applied magnetic field and temperature. Below 4.2 K deviations from a free spin behaviour are found. The saturation hyperfine field becomes dependent on the applied field, a behaviour which is typical for impurity spin compensation. This compensation decreases with Ni concentration.     

Specific features of magnetooptical spectra of Co/SiO2 hybrid multilayers

Magnetooptical spectra of Co(x)/SiO₂(y) bilayers and [Co(x)/SiO₂(y)]_n hybrid multilayers (x and y are the layer thicknesses) are studied in the range 1.5–4.0 eV. In these layers, the ultrathin ferromagnetic layers are not continuous but consist of ellipsoidal Co nanoparticles with a concentration near the percolation threshold. It is found that (a) the sign, magnitude, and spectral shape of the magnetooptical signal depend strongly on the Co particle size; (b) the signal for the [Co(1.6 nm)/SiO₂(3.0 nm)]₆ multilayers at 3.0 eV has a record-high magnitude for Co-based structures, 3×10^?2, which exceeds that for bulk Co about fivefold and about 50-fold that for a uniform Co film of an equivalent thickness; (c) the magnetooptical signal of multilayers depends non-linearly on the number of periods and the thickness of the dielectric layer y; and (d) the dependence of the signal of bilayers and multilayers with x=1.3 and 1.6 nm on the wavelength is nonmonotonic and exhibits clearly pronounced extrema. The data obtained for bilayers are attributed to the strong influence of percolation on the optical and magnetooptical parameters of the structure and interpreted in the framework of the effective medium approximation and macroscopic Fresnel magnetooptics.     

Studying the effects of temperature and radiation on the Al x O1 − x /TiNC system

The penetration of hydrogen through protective layers of aluminum oxide fixed on the surface of nanocrystalline (NC) titanium is studied. A film 400 nm thick is prepared by the magnetron sputtering. Radiation- and thermally-induced gas release are employed. It is found that the Al _x O_1?x film prevents the release of hydrogen from a sample under both radiation and thermal effects. The temperature of hydrogen extraction from metal hydride accumulators can be reduced by 200–250°C, provided that heating is performed under conditions of surface irradiation by electrons with energies of ～30 keV and current densities of 2 to 3 μA cm^?2.