An analysis of the structure of the iridium (111) surface by low-energy electron diffraction

Elastic low-energy electron diffraction (LEED) intensity versus voltage (I-V) measurements for the clean Ir(111) surface have been obtained. Seven specular I-V spectra were measured from 15 to 975 eV at incident angles from 7° to 62.5° relative to the surface normal. The outermost atomic layer spacing of the unreconstructed Ir(111) surface was determined both by the convolution-transform method we have presented previously (including certain convenient modifications) and by dynamical calculations. Results from the analysis of the I-V spectra by the convolution-transform method indicate that the outermost Ir(111) layer spacing is either unrelaxed or contracts by 4% of its bulk value depending upon whether the θ=7° data or the θ = 25° data are used. In agreement with this, the dynamical calculations show that the outermost Ir(111) layer spacing contracts by 2.5± 5% and, in addition, that the registry of the first layer of the crystal surface is not shifted, maintaining the fcc structure.     

Interior radiances in optically deep absorbing media—II Rayleigh scattering

The interior radiances are calculated within an optically deep absorbing medium scattering according to the Rayleigh phase function. The accuracy of the matrix operator method is improved by many orders of magnitude through the use of accurate starting values obtained by the Runge-Kutta method rather than from the single scattering approximation. The radiance and flux are given for a range of solar zenith angles and for single scattering albedos of 1, 0.99, 0.9, 0.5 and 0.1. The development of the asymptotic angular distribution of the radiance is illustrated. It is shown that this asymptotic distribution is probably physically unobservable when ω₀ < 0.8, since the flux is less than 10^-8 of its original value at the beginning of the asymptotic region. The ratio of the upward to downward flux is calculated and is shown to be remarkably constant within the medium except very close to the boundaries. The heating rate within the medium is found to be very nearly proportional to the downward flux, except near the boundaries. When the single scattering albedo is small, a number of examples illustrate the significant contribution of the direct solar flux to the total flux even at great optical depths within the medium. The total downward flux decreases exponentially with optical depth away from boundaries when the single scattering albedo is greater than or equal to 0.9; when it is less than or equal to 0.5 only an approximate exponential fit can be obtained within the region accessible to experimental observation.     

An accurate approximation to the diffusivity factor

A new analytical approximation for diffusivity factor has been developed to deal with the angular integration of the diffuse transmission function for infrared radiation. The method is based on the bridging function theory which connects the exact results at both of the transparent and opaque limits. It is shown that the new scheme is much more accurate than any previously proposed schemes. By implemented into a one-dimensional radiative model, it is found that the new diffusivity factor can produce very accurate results in flux and cooling rate in the main spectral ranges for CO₂, O₃, and H₂O. Also, the new proposed diffusivity factor is efficient in computing.Therefore, the new scheme is a proper choice to replace the constant diffusivity factor of 1.66 currently used in radiative transfer models.     

Transient behaviour of the mechanoluminescence induced by impulsive deformation of fluorescent and phosphorescent crystals

When a crystal is fractured impulsively by the impact of a moving piston, then initially the mechanoluminescence (ML) intensity increases quadratically with time, attains a peak value and later on it decreases with time. Considering that the solid state ML and gas discharge ML are excited due to the charging and subsequent production of electric field near the tip of moving cracks, expressions are derived for the transient ML intensity I, time t_m and intensity I_m corresponding to the peak of ML intensity versus time curve, respectively, the total ML intensity I_T, and for fast and slow decays of the ML intensity. It is shown that the decay time for the fast decrease of the ML intensity after t_m, is related to the decay time of the strain rate of crystals, and the decay time of slow decay of ML, only observed in phosphorescent crystals, is equal to the decay time of phosphorescence. The value of t_m decreases with the increasing impact velocity, I_m increases with the increasing impact velocity, and I_T initially increases and then it tends to attain a saturation value for higher values of the impact velocity. The values of t_m, I_m and I_T increase linearly with the thickness, area of cross-section and volume of the crystals, respectively. So far as the rise, attainment of ML peak, and fast decay of ML are concerned, there is no any significant difference in the time-evolution of solid state ML, gas discharge ML, and the ML emission consisting of both the solid state ML and gas discharge ML. From the time-dependence of ML, the values of the time-constant for decrease of the surface area created by the movement of a single crack, the time-constant for the decrease of strain rate of crystals, and the decay time of phosphorescence of crystals can be determined. A good agreement is found between the theoretical and experimental results. The importance of fracto ML induced by impulsive deformation of crystals is discussed.     

Dependence of peak height of glow curves on heating rate in thermoluminescence

The area under the glow curve (no thermal quenching and same dose) is conserved only in TL-time plots and is not conserved (scales by a factor by which heating rate is increased) in TL-temperature plots. This increase in area under TL-temperature glow curves with increase in heating rate at a constant dose should not be interpreted as increase in sensitivity of the dosimeter and is the consequence of transformation of time to temperature scale (temperature scale obtained from time scale by multiplying with β, T=T₀+βt). This is further supported by the fact that the light output or integrated counts seen by the PMT do not change (ignoring statistical fluctuations) with increase in heating rate at a constant dose. Further for a given heating rate, the glow peak height is similar in time and temperature plots and the glow peak height increases with increase in heating rate. However to conserve area in TL-temperature plots, the TL intensity should be divided by the respective heating rate, which will lead to the decrease of glow peak height in I/β-temperature plots and is the artifact of the normalization process. However for normalized glow curves (I/β-temperature), the glow peak height decreases with increase in heating rate, which is actually true for I/β or TL/β versus temperature plots. Hence it is recommended that in such cases where normalized glow curves (I/β versus temperature) are presented, the obtained peak height must be multiplied by β. By doing so, glow peak height increases with increase in heating rate. In addition to the above, studies are also carried out by considering thermal quenching effect and it is found that a logical way to measure thermal quenching quantitatively is to record the decrease of integrated counts (PMT current) with increase in heating rate at a constant dose, i.e. the integrated peak area (PMT current or TL-time or TL/β-temperature) must be plotted against the heating rate and the same should be used for interpretation of thermal quenching effect. Only this proves the fact whether the decrease of TL intensity (TL/β-temperature) is due to thermal quenching or not.     

Simulation of a stress-strain state in thin structured gallium nitride films on sapphire substrates

The stress-strain state in thin structured gallium nitride films on sapphire substrates containing open pores has been simulated. The results have been obtained by the finite element method in the commercial program complex. The stress intensity factor K _I has been calculated for the model considering a crack at the GaN/sapphire interface near an open pore. Based on the calculations of elastic fields, the redistribution of stresses by a structure with an ordered array of open pores in gallium nitride films has been estimated.     

High energy electron diffraction at Si(001) surfaces

Elastic scattering of 10 keV electrons at Si(001) surfaces at grazing incidence was investigated. The intensity of the specularly reflected elastically scattered electrons as a function of the angle of incidence I_el(γ) was measured for different azimuthal angles and was compared with calculations using the dynamical diffraction theory. It turned out that the contribution of the elastically scattered electrons to the total intensity of the reflections strongly decreases with decreasing angle of incidence. Exciting the reflection (008) the elastic contribution is around 30%, decreasing to about 12% in the case of the reflection (004). In the calculations multiple beam effects, absorption, a smooth variation of the potential at the surface and a reduction of the topmost interlayer spacing were taken into account. There is satisfactory agreement between the structures of experimental and calculated intensity curves, I_el(γ) indicating a slight compression of the surface lattice to be probable. Quantitative agreement, however, for absolute intensities was not obtained.     

Mechanoluminescence response to the plastic flow of coloured alkali halide crystals

The present paper reports the luminescence induced by plastic deformation of coloured alkali halide crystals using pressure steps. When pressure is applied onto a γ-irradiated alkali halide crystal, then initially the mechanoluminescence (ML) intensity increases with time, attains a peak value and later on it decreases with time. The ML of diminished intensity also appears during the release of applied pressure. The intensity I_m corresponding to the peak of ML intensity versus time curve and the total ML intensity I_T increase with increase in value of the applied pressure. The time t_m corresponding to the ML peak slightly decreases with the applied pressure. After t_m, initially the ML intensity decreases at a fast rate and later on it decreases at a slow rate. The decay time of the fast decrease in the ML intensity is equal to the pinning time of dislocations and the decay time for the slow decrease of ML intensity is equal to the diffusion time of holes towards the F-centres. The ML intensity increases with the density of F-centres and it is optimum for a particular temperature of the crystals. The ML spectra of coloured alkali halide crystals are similar to the thermoluminescence and afterglow spectra. The peak ML intensity and the total ML intensity increase drastically with the applied pressure following power law, whereby the pressure dependence of the ML intensity is related to the work-hardening exponent of the crystals. The ML also appears during the release of the applied pressure because of the movement of dislocation segments and movements of dislocation lines blocked under pressed condition. On the basis of the model based on the mechanical interaction between dislocation and F-centres, expressions are derived for the ML intensity, which are able to explain different characteristics of the ML. From the measurements of the plastico ML induced by the application of loads on γ-irradiated alkali halide crystals, the pinning time of dislocations, diffusion time of holes towards F-centres, the energy gap E_a between the bottom of acceptor dislocation band and the energy level of interacting F-centres, and work-hardening exponent of the crystals can be determined. As in the elastic region the strain increases linearly with stress, the ML intensity also increases linearly with stress, however, as in the plastic region, the strain increases drastically with stress and follows power law, the ML intensity also increases drastically with stress and follows power law. Thus, the ML is intimately related to the plastic flow of alkali halide crystals.     

Modeling of transient electroluminescence overshoot in bilayer organic light-emitting diodes using rate equations

When a voltage pulse is applied under forward biased condition to a spin-coated bilayer organic light-emitting diode (OLED), then initially the electroluminescence (EL) intensity appearing after a delay time, increases with time and later on it attains a saturation value. At the end of the voltage pulse, the EL intensity decreases with time, attains a minimum intensity and then it again increases with time, attains a peak value and later on it decreases with time. For the OLEDs, in which the lifetime of trapped carriers is less than the decay time of the EL occurring prior to the onset of overshoot, the EL overshoot begins just after the end of voltage pulse. The overshoot in spin-coated bilayer OLEDs is caused by the presence of an interfacial layer of finite thickness between hole and electron transporting layers in which both transport molecules coexist, whereby the interfacial energy barrier impedes both hole and electron passage. When a voltage pulse is applied to a bilayer OLED, positive and negative space charges are established at the opposite faces of the interfacial layer. Subsequently, the charge recombination occurs with the incoming flux of injected carriers of opposite polarity. When the voltage is turned off, the interfacial charges recombine under the action of their mutual electric field. Thus, after switching off the external voltage the electrons stored in the interface next to the anode cell compartment experience an electric field directed from cathode to anode, and therefore, the electrons move towards the cathode, that is, towards the positive space charge, whereby electron–hole recombination gives rise to luminescence. The EL prior to onset of overshoot is caused by the movement of electrons in the electron transporting states, however, the EL in the overshoot region is caused by the movement of detrapped electrons. On the basis of the rate equations for the detrapping and recombination of charge carriers accumulated at the interface expressions are derived for the transient EL intensity I, time t_m and intensity I_m corresponding to the peak of EL overshoot, total EL intensity I_t and decay of the intensity of EL overshoot. In fact, the decay prior to the onset of EL overshoot is the decay of number of electrons moving in the electron transporting states. The ratio I_m/I_s decreases with increasing value of the applied pulse voltage because I_m increases linearly with the amplitude of applied voltage pulse and I_s increases nonlinearly and rapidly with the increasing amplitude of applied voltage pulse. The lifetime τ_t of electrons at the interface decreases with increasing temperature whereby the dependence of τ_t on temperature follows Arrhenius plot. This fact indicates that the detrapping involves thermally-assisted tunneling of electrons. Using the EL overshoot in bilayer OLEDs, the lifetime of the charge carriers at the interface, recombination time of charge carriers, decay time of the EL prior to onset of overshoot, and the time delay between the voltage pulse and onset time of the EL overshoot can be determined. The intense EL overshoot of nanosecond or shorter time duration may be useful in digital communication, and moreover, the EL overshoot gives important information about the processes involving injection, transport and recombination of charge carriers. The criteria for appearance of EL overshoot in bilayer OLEDs are explored. A good agreement is found between the theoretical and experimental results.     

Luminescence induced by elastic deformation of ZnS:Mn nanoparticles

When the thin film of ZnS:Mn nanoparticles deposited on a glass substrate is elastically deformed by applying a load, then initially the mechanoluminescence (ML) intensity increases with time, attains a peak value I_m at a particular time t_m, and later on it decreases with time. The rise and decay characteristics of the ML produced during release of the load are also similar to those produced during the application of load. Similar rise, occurrence of peak and then decrease in ML intensity are also found, when the film is deformed impulsively by dropping a steel ball of small mass from a low height; however, in this case, the time durations for the occurrence of ML and decay time of ML are very short. In the cases of loading and impulsive deformation ,after t_m, initially the ML intensity decreases at a fast rate and then at a slow rate, in which the decay time of fast decrease is equal to the time-constant for rise of pressure and the decay time for slow decrease is equal to the relaxation time of the surface charges. In the case of loading, the peak intensity I_m and the total intensity I_T of ML increase quadratically with the magnitude of applied pressure; however, in the case of impulsive deformation, both the I_m and I_T increase linearly with the height through which the ball is dropped on to the sample. In the case of deformation of the samples at a fixed strain rate, I_m should increase linearly with the applied pressure. The elastico ML in ZnS:Mn nanoparticles can be understood on the basis of the piezoelectrically-induced electron detrapping model, in which the local piezoelectric field near the Mn²⁺ centres reduces the trap-depth, and therefore, the detrapping of filled electron traps takes place, and subsequently the energy released non-radiatively during the electron-hole recombination excites the Mn²⁺ centres and de-excitation gives rise to the ML. The equal number of photons emitted during the application of pressure, release of pressure, and during the successive applications of pressure, indicates that the detrapped electron-traps get filled during the relaxation of the surface charges induced by the application and release of pressure because the charge carriers move to reduce the surface charges. On the basis of the piezoelectrically-induced electron detrapping model, expressions are derived for different characteristics of the ML of ZnS:Mn nanoparticles and a good agreement is found between the theoretical and experimental results. The expressions explored for the dependence of ML intensity on several parameters may be useful in tailoring the suitable nanomaterials capable of exhibiting ML during their elastic deformation. The values of the relaxation time of surface charges, time-constant for the rise of pressure, and the threshold pressure can be determined from the measurement of the time-dependence of ML. It seems that the trapping and detrapping of charge carriers in materials can be studied using ML.     

Mechanoluminescence by impulsive deformation of γ-irradiated Er-doped CaF2 crystals

An impulsive technique has been used for mechanoluminescence (ML) measurements in γ-irradiated Er doped CaF₂ crystals. When the ML is excited impulsively by the impact of moving piston on to γ-irradiated CaF₂:Er crystals, two peaks are observed in ML intensity with time and it is seen that the peak intensities of first and second peaks (I_m1 and I_m2) increase with increasing impact velocity. However the time corresponding to first and second peaks (t_m1 and t_m2) shifts towards shorter time values with increasing impact velocity. It is also seen that the total ML intensity I_Total initially increases with the impact velocity and then it attains a saturation value for higher values of the impact velocity. We have presented a theoretical explanation for the observed results.     

Conformal anomaly in 4D gravity-matter theories non-minimally coupled with a dilaton

The conformal anomaly for 4D gravity-matter theories, which are non-minimally coupled with the dilaton, is systematically studied. Special care is taken of rescaling of fields, treatment of total derivatives, hermiticity of the system operator and the choice of measure. Scalar, spinor and vector fields are taken as the matter quantum fields and their explicit conformal anomalies in the gravity-dilaton background are found. The cohomology analysis is carried out and some new conformal invariants and trivial terms, involving the dilaton, are obtained. The symmetry of the constant shift of the dilaton field plays an important role. The general structure of the conformal anomaly is examined. It is shown that the dilaton affects the conformal anomaly characteristically for each case: (1) [Scalar] The dilaton changes the conformal anomaly only by a new conformal invariant, I₄; (2) [Spinor] The dilaton does not change the conformal anomaly; (3) [Vector] The dilaton changes the conformal anomaly by three new (generalized) conformal invariants, I₄, I₂, I₁. We present some new anomaly formulae which are useful for practical calculations. Finally, the anomaly induced action is calculated for the dilatonic Wess-Zumino model. We point out that the coefficient of the total derivative term in the conformal anomaly for the 2D scalar coupled to a dilaton is ambiguous. This resolves the disagreement between earlier calculations and the result of Hawking and Bousso.     

Paramagnetic centers in nonmetallic amorphous polyphthalocyanines

Electron paramagnetic resonance (EPR) spectra of nonmetallic amorphous polyphthalocyanines are investigated in the temperature range 295–500 K. The EPR spectrum of nonmetallic amorphous polyphth-alocyanine samples at room temperature prior to heating is a narrow singlet of approximately Lorentzian shape with a linewidth ΔH_pp ≈ 1.7 Oe, a splitting factor g=2.00, and an intensity I_EPR ≈ 10¹⁷ spins/g. It is found that the intensity and linewidth of the EPR spectrum increase with increasing temperature. Beginning with a characteristic temperature T₁, both parameters, ΔH_pp and I_EPR, become dependent on time (under isothermal conditions). Computer calculations of the spectra demonstrate that the EPR spectrum can be represented as a superposition of two lines with substantially differing parameters whose dependences on the temperature and micro-wave power also differ significantly. The possible reasons for the existence of electron paramagnetic resonance centers of two types with different degrees of delocalization of a charge carrier with a magnetic moment in nonmetallic amorphous polyphthalocyanines are discussed.     

Annihilation of positrons in aluminium oxide and phase transformations in this compound

Measurements have been made of the angular correlation N(θ) of positron annihilation quanta, the triquanta annihilation intensity I_3γ by the peak-to-peak method, and the average lifetimes of positrons in A1₂O₃. The measured quantities depend on the temperature at which the Al₂O₃ was obtained. It is assumed that there are two conversion centers of ortho -Ps. One is molecular oxygen adsorbed on the oxide surface and the other is the O^? ion which exists in A1₂O₃ obtained at lower temperatures, both on the surface and in the interior of the grains. The temperature ranges have been determined within which the changes in properties of the oxide with respect to the annihilation of positrons, occur slowly as well as those within which the changes occur rapidly. Among these properties are the vanishing of the postulated O^? ions with rise in temperature a probable diffusion of aluminium ions, and the vanishing of vacancies in the lattice structure (I_Ps). From the measurements of the rate characteristics the complete annihilation intensity I_xxx was calculated within the range from 0.34 to 96ns, and also annihilation intensity from para states of positronium I_p.     

Structure of complexes responsible for radiation-stimulated softening of silicon single crystals

The rate of the radiation-stimulated change in the microhardness of silicon single crystals exposed to irradiation with a low-intensity flux of beta particles (10⁵ < I < 2.9 × 10⁶ cm^?2 s^?1) is studied as a function of the radiation intensity. The temperature is determined at which the microhardness H = H _τ reached in a time τ under low-intensity beta irradiation regains its initial value H ₀. The results obtained indicate that complexes containing two vacancies play a dominant role in the radiation-stimulated softening of silicon single crystal     

Non-linear pair production in scattering of photons on ultra-short laser pulses at high energy

We consider scattering of a photon on a short intense laser pulse at high energy. We argue that for ultra-short laser pulses the interaction is coherent over the entire length of the pulse. At low pulse intensity I the total cross section for electron–positron pair production is proportional to I  . However, at pulse intensities higher than the characteristic value Is$I_s$, the total cross section saturates – it becomes proportional to the logarithm of intensity. This non-linear effect is due to multi-photon interactions. We derive the total cross section for pair production at high energies by resuming the multi-photon amplitudes to all orders in intensity. We calculate the saturation intensity Is$I_s$ and show that it is significantly lower than the Schwinger's critical value. We discuss possible experimental tests.     

Fracto-mechanoluminescence and mechanics of fracture of solids

The present paper explores the correlation between fracto-mechanoluminescence and fracture of solids and thereby provides a clear understanding of the physics of fracto-mechanoluminescence. When a fluorescent or non-photoluminescent crystal is fractured impulsively by dropping a load on it, then initially the mechanoluminescence (ML) intensity increases linearly with time, attains a maximum value I_m at a particular time t_m and later on it decreases exponentially with time. However, when a phosphorescent crystal is fractured impulsively by dropping a load on it, then initially the ML intensity increases linearly with time, attains a maximum value I_m at a particular time t_m and later on it decreases initially at a fast rate and then at a slow rate. For low impact velocity the value of t_m is constant, however, for higher impact velocity t_m decreases logarithmally with the increasing impact velocity. Whereas the peak ML intensity I_m increases linearly with the impact velocity, the total ML intensity I_T, initially increases linearly with the impact velocity and then it tends to attain a saturation value for higher values of the impact velocity. The value of t_m increases logarithmally with the thickness of crystals, I_m increases linearly with the area of cross-section of crystals and I_T increases linearly with the volume of crystals. Generally, the ML of non-irradiated crystals decreases with increasing temperature of crystals. Depending on the prevailing conditions the ML spectra consist of either gas discharge spectra or solid state luminescence spectra or combination of the both. On the basis of the rate of generation of cracks and the rate of creation of new surface area of crystals, expressions are derived for the ML intensity and they are found to explain satisfactorily the temporal, spectral, thermal, crystal-size, impact velocity, surface area, and other characteristics of ML. The present investigation may be useful in designing of damage sensors, fracture sensors, ML-based safety management monitoring system, fuse-system for army warheads, milling machine, etc. The present study may be helpful in understanding the processes involved in earthquakes, earthquake lights and mine-failure as they basically involve fracture of solids.     

An impact mechanism in diverting energy from absorbing inclusions at laser destruction of transparent dielectrics

A new mechanism of destruction of transparent dielectrics with small highly-absorbing inclusions by using intensive laser emission has been suggested. It has been shown that for experimentally found values of threshold radiation intensity I_th ≈ 1 GW/cm² and impurity concentration n ? 10⁷ cm^-3 radiation absorption outside the front of the impurity-initiated shock wave, when allowing for the collective action of waves, results in great heating of the dielectric surface layer which causes its destruction. The found critical value of impurity concentration is several orders less than the value estimated over a model of heating of an inclusion-surrounding dielectric at the expense of heat conductivity.     

Excitation-power dependence of the near-band-edge photoluminescence of ZnO inverse opals and nanocrystal films

The excitation-power dependence of the near-band-edge emission in ZnO inverse opals and nanocrystal films has been studied. The dependence of the photoluminescence intensity I on the excitation power L can be described by a power law, i.e., I∼L^α, where α is an exponent that is often used to identify the origin of the near-band-edge emission from semiconductors in previous models. However, in this work, it was found that the values of α show a strong variation between ZnO inverse opals and nanocrystal films. And our results show that the change of α is mainly caused by the laser heating effects. Therefore, the value of α could not be simply employed to unequivocally evaluate the origin of the near-band-edge emission in complex nanostructures.     

On the measurements of vibrational intensity in the photoelectron spectra of NO for the ionic ground state

Over 50 series of experimental values of photoelectron intensity I(υ′), with υ′ = 0–6, (normalized to I(υ′ = 1) equal to 100) for