Abstract: First principle calculations of the electron and positron band structures are performed for the SiC polytype of the 3C cubic structure. The perfect and vacancy containing elements are considered. The supercell model is incorporated Electron and positron densities as well as the positron lifetime are determined for the Si and C point defects. The resulting characteristics are studied with respect to their counterparts in the perfect crystal. Various approximations to the electron-positron correlations are applied in the calculation of the positron distribution and lifetime. Importance of non-local effects is emphasized.
Abstract: We present an approach taking into account the effect of electron-electron (e-e) correlations on electron-positron (e-p) momentum density distributions. The approach bases on the modification of the Bethe-Goldstone (B-G) equation for the positron in the electron gas due to self-energy effects. The example calculations have been performed for selected parameters corresponding to simple metals. The calculated dependencies exhibit the increase of the e-p enhancement factors below Fermi momentum, like Kahana enhancements, and a decrease above the Fermi sphere, leading to a many-body “tail” in the e-p momentum density distributions. Moreover, the influence of lattice effects on enhancement factors (EF) is taken into account. This decreases by a few percent the absolute values of the e-p momentum distributions and the corresponding annihilation rates and for real metals such as Mg or Cu evidently improve the agreement with experiment.
Abstract: The results of the Monte Carlo simulation, using GEANT4 codes, of the slowing-down time prior to the thermalization in metals for positrons emitted from the 22Na and 68Ge\68Ga sources are presented. Due to the energy spectrum and probabilistic processes accompanying positrons traversing a medium the slowing-down time exhibits a distribution which has a long tail. Nevertheless, the average value of the time is ranged from 0.4 ps to 8 ps depending on the density of the medium as it is for the 22Na positrons. For positrons emitted from the 68Ga nucleus the average value of the slowing-down time increases and it is ranged from 1 ps to 20 ps.
Abstract: In the Present Contribution the Atomistic Structure of the Polymer Melt at 300 K Is Simulated by Means of Molecular Dynamics. the Agreement with an Experimental Density Is Obtained with a Deviation Lower than 1%. the Free Volume Is Analyzed in 1,000 Structures and 6.5 X 108 Cubic Å of Molecular Space. a Model for the Free Volume Cavities Is Proposed. in the Model the Size and Number of the Cavities Can Be Scaled by Three Parameters: Probe Radius, Cavity Depth and Cavity Threshold Volume. the Experimental Values of the Nano-Sized Cavity Volumes as Well as Ortho-Positronium Lifetimes Are Obtained, as Compared to Models with Cylindrical and Spherical Geometry. a Typical Value of the Number Density of Free Volume Cavities at 0.001 Å-3 Is Obtained. the Cavities Have Typically Elongated Shape with a Side-to-Length Ratio 1:2.
Abstract: Calculations of gamma spectra for positron annihilation for a selection of molecules, including methane and its fluoro-substitutes, ethane, propane, butane and benzene are presented. The contribution to the -spectra from individual molecular orbitals is obtained from electron momentum distributions calculated using the density functional theory (DFT) based B3LYP/TZVP model. For positrons thermalised to room temperature, the calculation, in its simplest form, effectively treats the positron as a plane wave and gives positron annihilation spectra linewidths that are broader (30–40%) than experiment, although the main chemical trends are reproduced. The main physical reason for this is the neglect of positron repulsion from the nuclei. We show that this effect can be incorporated through momentum-dependent correction factors, determined from positron-atom calculations, e.g., many-body perturbation theory. Inclusion of these factors in the calculation gives linewidths that are in improved agreement with experiment.
Abstract: There is currently great interest in the very large values of the positron annihilation rate that have been observed in low-energy positron scattering by some molecules. The annihilation rate is proportional to , the effective number of electrons in the target available to the positron for annihilation. These very high rates and associated values of have been observed experimentally to occur at energies just below the energies of excited vibrational states of the molecule concerned. This has been explained by Gribakin [Phys. Rev. A Vol. 61 (2000), p. 022720] and Gribakin and Lee [Phys. Rev. Lett. Vol. 97 (2006), p. 193201] as being due to Feshbach resonances involving excited quasi-bound vibrational states. Their explanation is partly phenomenological. In this paper, I describe the results of an ab initio treatment of this resonant behaviour in the case of the scattering of a heavy ‘positron’ by , using the Kohn variational method.
Abstract: The recent interest in positrons distribution in the space revealed the anomalous presence of high energetic positrons. There are different possible origins of such positrons, including the decay of heavy particles in the dark matter, also pulsars or neutron stars. In our study we calculated the annihilation properties of the electron – positron bound system in superstrong magnetic fields expected for neutron stars. For this aim we use solutions of the (relativistic) Bethe-Salpeter equation derived by L.B. Leinson and A. Perez . The results indicate strong dependency of the annihilation properties (rate and intensity) on the value of the magnetic field.
Abstract: A unified mechanism describing formation of Ps and Mu atoms in condensed matter, radiolytic hydrogen in water and products of Auger ionization in Moessbauer atoms is presented. All these processes are similar to the Ps formation mechanism in a condensed molecular milieu.
Abstract: Electroluminescence in SiO2 layers can be created by Ge implantation and a subsequent heat treatment, leading to the formation of Ge nano-particles inside the SiO2. An additional implantation of Er, connected with a further annealing, can lead to an improvement of the luminescent properties. However, the intensity of electroluminescence was found to decrease drastically after exceeding an optimum concentration of the Er doping. Slow positron implantation spectroscopy (SPIS), both in single (DB) and coincidence (CDB) Doppler broadening mode, was applied to probe processes at a microscopic level which might have an impact on the optical response. It shows that the increasing intensity of the electro-luminescence is connected with a crystalline structure of the SiO2 covering the nano-particles and also with the improved reverse energy transfer process between Er and Ge.