No abstract

An optimized empirical pseudopotential method (EPM) in conjunction with virtual crystal approximation (VCA) and the compositional disorder effect is used for simulation to extract the electronic material parameters of wurtzite nitride alloys to ensure excellent agreement with the experiments. The proposed direct bandgap results of group-III nitride alloys are also compared with the different density functional theories (DFT) based theoretical results. The model developed in current work, significantly improves the accuracy of calculated band gaps as compared to the ab-initio method based results. The physics of carrier transport in binary and ternary nitride materials is investigated with the help of in-house developed Monte Carlo algorithms for solution of Boltzmann transport equation (BTE) including nonlinear scattering mechanisms. Carrier–carrier scattering mechanisms defined through Coulomb-, piezoelectric-, ionized impurity-, surface roughness-scattering with acoustic and intervalley scatterings, all have been given due consideration in present model. The direct and indirect energy bandgap results have been calibrated with the experimental data and use of symmetric and asymmetric form factors associated with respective materials. The electron mobility results of each binary nitride material have been compared and contrasted with experimental results under appropriate conditions and good agreement has been found between simulated and experimental results.

In this paper we present an empirical relation for total stopping power keV in terms of total energy (kinetic
energy + rest mass energy) for electrons and positrons from 20 keV to 50000 and have been fitted by a two
parameter approximation. These parameters depend upon the atomic number (Z) of the absorber and are
applicable in absorbers of atomic number from Z=1 to 92. A fairly good agreement has been found between our
simplified values for total stopping power of electrons and positrons for Carbon, Aluminum, Copper, Silver,
Gold, Lead, Iron, Uranium, Germanium, Silicon and Molybdenum and that of Berger and Seltzer calculated
values

<p>An innovative theoretical approach for deeper understanding of the ultrafast spectroscopy experiments through solution of the Boltzmann transport equation coupled with various nonlinear scattering mechanisms, overcoming the limitations offered by DFT, RT-TDDFT and molecular based methods, is reported. A clear advantage of the real-time approach is that it does not make a priori assumptions about specific scattering, relaxation mechanisms and has capabilities to capture the full real-time carrier’s dynamics, including the superposition of all electron–electron, electron-lattice and electron–phonon scatterings etc. No such method with advances in theoretical treatments to explain ultrafast spectroscopy has been reported previously as per the author’s knowledge.</p>