The Hall scattering factor is formulated using Rode’s iterative approach to solv- ing the Boltzmann transport equation in such a way that it may be easily computed within the scope...
We present a detailed ab initio study of semi-classical transport in n-ZnSe using Rode’s iterative method. Inclusion of ionized impurity, piezoelectric, acoustic deformation and polar optical phonon scattering and their relative importance at low and room temperature for various n-ZnSe samples are discussed in depth. We have clearly noted that inelastic polar optical phonon scattering is the most dominant scattering mechanism over most of the temperature region. Our results are in good agreement with the experimental data for the mobility and conductivity obtained at different doping concentrations over a wider range of temperatures. Also we compare these results with the ones obtained with relaxation time approximation (RTA) which clearly demonstrate the superiority of the iterative method over RTA.
We present a comprehensive investigation of semi-classical transport properties of n-type ternary compound AlGaAs 2 , using Rode's iterative method. Four scattering mechanisms, have been included in our transport calculation, namely, ionized impurity, piezoelectric, acoustic deformation and polar optical phonon (POP). The scattering rates have been calculated in terms of ab-initio parameters. We consider AlGaAs 2 to have two distinct crystal geometries, one in tetragonal phase (space group: 4 2 p m ), while the other one having body centered tetragonal crystal structure (space group: 42 I d ). We have observed higher electron mobility in the body centered tetragonal phase, thereby making it more suitable for high mobility device application, over the tetragonal phase. In order to understand the differences in electron moblities for these two phases, curvatures of the E-k graph of the conduction bands for these phases have been compared. At room temperature, the dominant contribution in electron mobility was found to be provided by inelastic POP scattering. We have also noted that mobility is underestimated in relaxation time approximation as compared with the Rode's iterative approach.
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