Calculations of characteristics of impurity-defect complexes in silicon at high concentrations of impurities

Microscopic mechanisms of an influence of point defect-impurity complexes on atomic rearrangements in a silicon crystal which is saturated by defects are theoretically investigated. To achieve the goal, a model that describes the silicon crystals with concentrations of defects more than 1021 cm-3 has been developed. For the model crystal, electronic structure and energetic characteristics are calculated by the electron density functional method and the first-principle pseudopotentials