Transport phenomena in CdTe:Cl and CdTe:Cu - calculation from the first principles

In the presented article the method of determining the energy spectrum, the wave function of the charge carrier and the crystal potential in CdTe at an arbitrarily given temperature is considered. Using this approach within the framework of the supercell method the temperature dependences of the ionization energies of various types of defects caused by the introduction of chlorine and copper impurities in cadmium telluride are calculated. Also the offered method allows to define the temperature dependence of the optical and acoustic deformation potentials and as well as the dependence on the temperature the charge carrier’s scattering parameters on ionized impurities, polar optical, piezooptic and piezoacoustic phonons. Within the framework of short-range scattering models the temperature dependences of the charge carrier’s mobility and Hall factor are considered.