Calculation of the Parameters of a One‐Coordinate Model of the VGaSAs and VGaSnGa Complexes in Gallium Arsenide

Experimental optical bands of the emitting complexes (a gallium vacancy with a donor at the nearest, from the vacancy, sublattice site) V_GaS_As and V_GaSn_Ga in GaAs are investigated in a wide temperature range. The parameters of a onecoordinate model of these centers are determined. A configurationcoordinate diagram of the V_GaS_As complex is constructed. Calculation of the field dependences of emission rates is carried out in terms of the parameters of the onecoordinate model of the V_GaS_As complex and the data obtained are compared with the results of experimental studies of the emission of electron holes from a deeplying center of the V_GaS_As complex.     

Gas‐Kinetic Temperature of Planar High‐Frequency Capacitive Discharge Plasma in N2/CO2/He Gas Mixtures

Using methods of emission spectroscopy, we have determined the gaskinetic temperature fields of planar highfrequency capacitive discharge plasma in N₂/CO₂/He gas mixtures depending on the excitation frequency, discharge current, pressure, and chemical composition of the mixture. It is shown that the dominant contribution to the neutral component heating in the center of the discharge chamber is made by the processes of V–T relaxation of vibrationally excited molecules N₂(X ¹, V) and CO₂(X ¹, V), whereas in the zones near the electrodes an important role in the heating is played, along with the V–T relaxation of the N₂(X ¹, V) and CO₂(X ¹, V) molecules, by the processes of deactivation of the metastable states A ³ of the N₂ molecule.     

Updated Analysis of Gallium Chelate and Vanadium Chelate Solutions with 4‐(2‐Pyridylazo)Resorcinol and Xylenol Orange

The characteristic factors of the gallium and vanadium chelates with the ligands 4(2pyridylazo)resorcinol (PAR) and xylenol orange (XO) have been determined with the aid of the principle of correction, which makes it possible to eliminate the influence of the surplus ligand in the solution of its chelate with methane (which makes calculation easier) and thereby provides a more acceptable method in comparison with others. The real molar coefficients of extinction of the chelates Ga and V with PAR and XO have been determined and a detailed calculation of the stoichiometric ratios of chelates has been made. The results have shown that the chelates formed have the following structure: Ga(PAR), Ga(XO), V(PAR)₂, and V(XO).     

Electron Energy Loss Spectra of the Organic Complexes of Europium

In the electron energy loss spectra (EELS) of the organic europium complexes Eu³⁺ (BTFA)₃TPPO and Eu³⁺(BrBTFA)₃TPPO in a gas phase obtained on excitation by monokinetic beams of electrons of different energies in the range 12–50 eV, we have identified the bands associated with the electron transitions S ₀–S ₁, S ₀–S ₂, and S ₀–S ₃. The connection of these transitions with the structural groups of the complexes is established. The addition of the bromine atom to the phenyl ring of diketonate leads to the rise in the relative intensity of the S ₀–S ₂ band. The singlettriplet transitions manifest themselves in the region 2.5–3.2 eV and contribute to the S ₀–S ₂ band of the electron energy loss spectra.     

Electrostatic Model of Edge Luminescence of Heavily Doped Degenerate Semiconductors

We propose a model of the narrowing of a forbidden band due to doping of crystalline semiconductors with hydrogenlike impurities with allowance for the following factors: spatial fluctuations of an electrostatical potential, exchange interaction of majority charge carriers, screening of the minority charge carrier by a cloud of the majority ones, and also tunneling at the level of percolation. The dependence of the position of the edge luminescence band maximum on the concentration of impurities for the degrees of their compensation from a weak to an intermediate one has been calculated. The results agree with the experimental data for cryogenic temperatures in a wide range of change in the equilibrium concentration of electrons (holes).     

Infrared Spectroscopic Study of N,N‐Dimethylthioformamide Complexes of the Hofmann Type

Four new Hofmanntype complexes, M(DMTF)₂Ni(CN)₄, (where DMTF is dimethylthioformamide, M=Mn, Cd, Co, or Ni) were synthesized and their structure was determined by an elemental analysis and infrared spectroscopy. The IR spectra of DMTF and its nickel tetracyanine complexes with Mn(II), Cd(II), Co(II), and Ni(II) have been investigated within the range 4000–400 cm^–1. The frequency shifts in the metal complexes agree with the assignment of the CS and CN frequencies. The complexes consist of infinite planar polymer layers of |MNi(CN)₄|. Ndimethylthioformamide is coordinated to this layer from above and below; it is a monodentate ligand and is Sbonded through the metal atom in these complexes.     

Calculation of the Tautomeric Properties of 3‐Formyl‐Tetrinic Acid by the ab initio and DFT Methods

We have carried out a nonempirical quantumchemical calculation with full optimization of the geometry of all theoretically possible tautomeric forms of 3formyltetrinic acid (FTRA) according to the Møller–Plesset secondorder perturbation theory with the use of a 6–31G(d) double zeta basis set. The correlation corrections to the total energy of molecules for optimized geometric configurations were calculated in the 631G(d,p) basis. All the possible tautomeric forms of FTRA and the harmonic vibrational frequencies were also calculated within the density functional theory (DFT) with the use of the Perdew–Burke–Ernzerhof (PBE) functional in a threeexponent basis. It is shown that FTRA in vapors (in the perfect gas approximation) exists in the form of a mixture of three enol forms, among which two exoforms predominate. The frequencies and forms of normal vibrations for each cisenol tautomer in the region of vibrations of ketogroups and double bonds differ widely, which permits identification of the tautomers present in the mixture. The possible mechanisms of enolenol transformations of 3acyltetrinic acids are discussed.     

Influence of Close‐Range Dipole‐Dipole Interactions on the Real Part of the Susceptibility of a Dense Resonance Medium

Based on a solution of the stationary modified Bloch equations, an investigation is made of the influence of the effect of internal optical bistability (IOB) on the behavior of the refractive index of a dense resonance medium as a function of the constant b of closerange dipoledipole interactions, frequency detuning, and the intensity of optical radiation. The conditions of existence of the IOB effect of the system dense resonance medium + optical radiation are found and the dynamics of the loop width of the hysteresis dependence of the population difference of the resonance levels of the medium on the characteristics of the system is traced. The domains of the parameters are determined in which the effects of selffocusing and selfdefocusing of the radiation propagating in a dense resonance medium can take place.     

Application of the Method of Integral Equations to the Description of Brewster Reflection of Light From Discrete‐Structured Media

A theoretical explanation is given to the experiments on Brewster reflection of light from the surface of certain liquids on the basis of the nearfield effects in a transitional layer. The consideration was carried out within the framework of the concept of a discretecontinuous dielectric in which the fields of the dipoles of discretely distributed atoms inside the Lorentz sphere surrounding the observation point are taken into account.     

Absorption Spectra of Pentamers of Tetrapyrrole Compounds in Aqueous Solutions

Pentamers of two types have been obtained in aqueous solutions containing mixtures of two tetrapyrrole compounds, in whose molecules there are positively or negatively charged peripheral groups. The pentamers of one type include one molecule of mesotetra(4Nmethylpyridyl) porphin (TMPP) and four molecules of the complex of mesomono(nsulfophenyl)etioporphyrin II with palladium (PdSPhEP), and the pentamers of the other type include one molecule of sulfonated phthalocyanine (PCS) and four molecules of TMPP. The absorption bands of the pentamers are broadened and shifted toward longer wavelengths in comparison with the bands obtained as a result of the addition of the spectra of the monomers. It seems that the changes in the absorption spectra are first of all due to the change in the interaction of the molecules of the pigments with the molecules of the surrounding in formation of associates and due to the influence of the resonance dipoledipole interaction between the molecules in the associates. The influence of the intermolecular photoinduced charge transfer is also possible (it is most probable for the associates with PCS). We have revealed an effective quenching of the fluorescence of PCS and TMPP solutions upon heteroassociation.     

MOTIF: Evaluation of time spectra for nuclear forward scattering

The computer program MOTIF calculates time dependences for nuclear forward scattering (NFS) of synchrotron radiation and allows fully automatic fits of experimental data. A multiple scattering technique of calculations directly in space and time is used. The source code of MOTIF is written in Fortran 77. It has been worked out since 1993 and tested on several Unix platforms by fitting the NFS time spectra of ⁵⁷Fe, ¹¹⁹Sn, ¹⁵¹Eu, ¹⁶¹Dy, and ¹⁸¹Ta nuclei in various compounds with different timeindependent and timedependent hyperfine interactions.     

A Cathodoluminescent Screen of Columnar Structure for Field Emission Displays

We have suggested and implemented a method of creation (growing) of sublimatescreens formed by singlecrystal luminophor columns which are perpendicular to an amorphous (e.g., glass) substrate. The diameters of the columns are 3–5 m, the height 7–10 m. The columnar singlecrystal structure of the screen ensures the high light yield and radiation color needed for field emission displays. It is possible to select the growing regime so that the columns are very closely spaced (1–2 m). The gaps can be filled with a conducting opaque material that increases the contrast of the screen and improves their electrical conductivity.     

The Quantum Evolution of the Closed Friedman Universe with “Bouncing Off”

The homogeneous and isotropic closed Friedmanuniverse evolution in higher-order gravity theories isconsidered. The model takes into account vacuumpolarisation of conformal and nonconformal fields. That leads to the following addition in the Einsteinlagrangian: R² ln |R/R₀|. Near theregular minimum of the scale factor the model has ananalytical solution depending on an integration constantC. If |R/R₀| > 1, the solution passes through the regularminimum, experiences inflation with a decreasing valueof R and approaches to the critical value R =R₀. In the interval |R/R₀| < 1,the solutions have non-linear oscillations (i.e. the scalaronstage). On this stage of the evolution the universe isfilled with relativistic plasma. The continuoustransition through the critical point R = R₀is possible in only one type of solution, the separatrix.Though other solutions have no features in this point,they experience the discontinuity in derivatives of R.It is unsuitable since higher-order gravity theories are considered. Thus the measure of continuoussolutions giving a hot universe is negligible. Howeversolutions of the model can be continued in the imaginarytime. In such a case the Euclidean action will have a non-zero value because of the spaceclosed boundedness of the universe and the finiteness ofthe imaginary time interval (instanton). The last allowsus to calculate the probability of the quantum tunnelling of the Friedman universe from theinflation region into the scalaron region.     

Equations for the Magnetization Modes in a System Having a Quadruple Nucleus with the Spin S = 1

Within the framework of the method of a density matrix, differential equations are obtained that describe the evolution of the modes of magnetization <Î₊>, <Î_{+ z} >, and <Î_{+ z} ²> for a spin system containing a nucleus with a 1/2 spin connected scalarly with the quadruple nucleus of the spin S = 1 in the presence of crosscorrelation between the dipole ISinteractions, anisotropy of the chemical shift of the I and S nuclei, and quadruple interaction of the S nucleus. The equations are used for analysis of the evolution of the intensities of each line in the triplet of the Raman spectrum of the 1/2 spin. Expressions for the times of crossrelaxation and the times of transverse relaxation of each of the lines of the triplet are obtained.     

Electroluminescence and Spectral Properties of N9‐Isobutyl‐2‐Oxo‐3‐Phenyl‐3N‐Benzo[F]Chromene‐9‐Sulfonamide

Experimental data on the synthesis and spectral properties (UV, IRFourier, xray photoelectronic, and luminescence spectra) of the sulfonamide derivative of benzocoumarin in an isopropanol solution and in a film applied by thermal vacuum deposition (TVD film) are reported. The use of TVD films of the investigated substance as electroluminophors is shown to be promising.     

Comprehensive self-consistent three-dimensional simulation of an operation of the GaAs-based oxide-confined 1.3-μm quantum-dot (InGa)As/GaAs vertical-cavity surface-emitting lasers

In the paper, a comprehensive fully self-consistent three-dimensional simulation of an operation of the GaAs-based oxide-confined long-wavelength 1.3-m quantum-dot (QD)(InGa)As/GaAs vertical-cavity surface-emitting diode lasers is demonstrated. The model has been intentionally prepared for the PC-class microcomputers to enable its easy application in designing optimal structures of the above devices with desired performance characteristics. An impact of some structure parameters on QD VCSEL room-temperature (RT) continuous-wave (CW) lasing thresholds is discussed. A stable RT CW operation on a single fundamental mode has been found to be possible in modern QD VCSELs with active regions containing more uniform and more dense QDs in stacks of QD layers. The desired single fundamental-transverse-mode operation is possible for smaller active regions of diameters not exceeding 8 m. In the case of larger active regions, on the other hand, higher-order transverse modes of an increasing order are excited first because of increasingly more non-uniform optical-gain distributions.     

Change in the Absorption Spectra of Membranes Containing Co(III)‐ and Sn(IV) Tetraphenyl Porphyrins as a Result of the Use of Anion‐Selective Electrodes Based on Them

Electronic absorption spectra of the components of the membranes of anionselective electrodes containing Co(OH) and Sn(OH) Sn(OH)₂ tetraphenyl porphyrins (TPP) as electroactive substances and various softeners and lipophilic ionic additives have been investigated. 2Nitrophenyloctylic ether, bromonaphthalene, dibutyl phthalate, and dioctyl phthalate were used as softeners; tetradecyl ammonium nitrate and tetrakis(4chlorophenyl)potassium borate were used as ionic additives. To investigate the electronic absorption spectra, we dissolved the membranes in cyclohexane at different pH before and after their use. The influence of the acidity and the nature of a softener on the position and intensity of the absorption bands of metalloporphyrin in a membrane is discussed. It is shown that the use of membranes containing Co(OH)TPP in highly acidic media is accompanied by its demetallation and the formation of protonized forms of TPP. The membranes based on Sn(OH)₂TPP are more stable in acid media.     

Amplification Coefficient of the Anti‐Stokes Component of Raman Scattering

The theory of intracavity parametric interaction of the components of Raman scattering is developed in the prescribedintensity approximation, which takes into account the reverse reaction of the excited waves to the pumpingwave phase. It is shown that one can substantially improve the conversion efficiency or the amplification coefficient of the antiStokes component by selection of the intracavity geometry, the optimum phase relation between the interacting waves, the pumping level, and the phase mismatch.     

Triplet‐Triplet Electron Excitation Energy Transfer in the Gas Phase for the Carbazol–Diacetyl Donor‐Acceptor Pair

For the carbazol–diacetyl donoracceptor pair, the features of exothermal triplettriplet (TT) transfer of electron excitation energy in the gas phase upon excitation of carbazol by the nitrogen laser radiation which is not absorbed by diacetyl have been investigated. The luminescence spectra of carbazol in the gas phase have been studied. It is shown that carbazol phosphorescence in the gas phase is absent. Therefore, for estimating the TT transfer efficiency and its temperature dependence, in the kinetic approximation the dependences of the intensity of timeresolved delayed fluorescence of carbazol and sensitized phosphorescence of diacetyl on diacetyl pressure have been analyzed. It has been found that in the gas phase the features of the electronic structure of the molecules under investigation are responsible for the low efficiency of transfer (2·10^–4 at 453 K), which increases by an order of magnitude with increasing temperature in the 453–513 K range despite the increasing influence of the back transfer.     

Determination of the Elemental Composition of Chalcogenide Powders by the X‐Ray Fluorescence Method

A procedure of xray spectral fluorescence analysis of the elemental composition of As _x S_100–x chalcogenide powder samples is developed and its metrological characteristics are established. In determining the content of the components in an As₅₀S₅₀ sample, the relative standard deviation was 0.0030 for As and 0.0035 for S. The results of the xray spectral fluorescence analysis are in good agreement with the data of a gravimetric method.